methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-2-ylsulfanylmethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-2-ylsulfanylmethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(2-pyridylsulfanylmethylene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(4Z)-6-phenyl-4-[(2-pyridinylthio)methylidene]-1-cyclohexa-1,5-dienyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-2-ylsulfanylmethylidene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[(4Z)-6-phenyl-4-[(2-pyridylthio)methylene]cyclohexa-1,5-diene-1-carbonyl]amino]butyric acid methyl ester Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CCC(=CSC2=CC=CC=N2)C=C1C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC/C(=C/SC2=CC=CC=N2)/C=C1C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S2/c1-30-25(29)22(13-15-31-2)27-24(28)20-12-11-18(17-32-23-10-6-7-14-26-23)16-21(20)19-8-4-3-5-9-19/h3-10,12,14,16-17,22H,11,13,15H2,1-2H3,(H,27,28)/b18-17-