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

Systemtic Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-yloxymethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(3-pyridyloxymethylene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(4Z)-6-phenyl-4-(3-pyridinyloxymethylidene)-1-cyclohexa-1,5-dienyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-yloxymethylidene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[(4Z)-6-phenyl-4-(3-pyridyloxymethylene)cyclohexa-1,5-diene-1-carbonyl]amino]butyric acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CCC(=COC2=CN=CC=C2)C=C1C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC/C(=C/OC2=CN=CC=C2)/C=C1C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4S/c1-30-25(29)23(12-14-32-2)27-24(28)21-11-10-18(17-31-20-9-6-13-26-16-20)15-22(21)19-7-4-3-5-8-19/h3-9,11,13,15-17,23H,10,12,14H2,1-2H3,(H,27,28)/b18-17-