MTC

[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER

Created:	1999-07-08
Last modified:	2011-06-04

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3 entries where MTC is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	0

2D diagram of MTC

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Chemical Component Summary
Name	[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER
Systematic Name (OpenEye OEToolkits)	methyl N-[(1R,4Z,13E)-1-hydroxy-13-(2-methylsulfanyldisulfanylethylidene)-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate
Formula	C₁₈ H₁₇ N O₄ S₃
Molecular Weight	407.527
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)NC2=C1\C(=C/CSSSC)C(C#CC=CC#CC1)(O)CC2=O
SMILES	CACTVS	3.341	COC(=O)NC1=C2CC#CC=CC#C[C](O)(CC1=O)C2=CCSSSC
SMILES	OpenEye OEToolkits	1.5.0	COC(=O)NC1=C2CC#CC=CC#CC(C2=CCSSSC)(CC1=O)O
Canonical SMILES	CACTVS	3.341	COC(=O)NC1=C2CC#C\C=C/C#C[C@](O)(CC1=O)\C2=C\CSSSC
Canonical SMILES	OpenEye OEToolkits	1.5.0	COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O
InChI	InChI	1.03	InChI=1S/C18H17NO4S3/c1-23-17(21)19-16-13-8-6-4-3-5-7-10-18(22,12-15(16)20)14(13)9-11-25-26-24-2/h3,5,9,22H,8,11-12H2,1-2H3,(H,19,21)/b5-3-,14-9+/t18-/m0/s1
InChIKey	InChI	1.03	PNQXYYVQKWQRKL-LUWMVQLVSA-N

Related Resource References

Resource Name	Reference
PubChem	5288853

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