methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-ylmethoxymethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-ylmethoxymethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(3-pyridylmethoxymethylene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(4Z)-6-phenyl-4-(3-pyridinylmethoxymethylidene)-1-cyclohexa-1,5-dienyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-ylmethoxymethylidene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[(4Z)-6-phenyl-4-(3-pyridylmethoxymethylene)cyclohexa-1,5-diene-1-carbonyl]amino]butyric acid methyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CCC(=COCC2=CN=CC=C2)C=C1C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC/C(=C/OCC2=CN=CC=C2)/C=C1C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O4S/c1-31-26(30)24(12-14-33-2)28-25(29)22-11-10-19(15-23(22)21-8-4-3-5-9-21)17-32-18-20-7-6-13-27-16-20/h3-9,11,13,15-17,24H,10,12,14,18H2,1-2H3,(H,28,29)/b19-17-