4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-ylsulfanylmethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-ylsulfanylmethylidene)cyclohexa-1,5-dien-1-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(3-pyridylsulfanylmethylene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[(4Z)-6-phenyl-4-[(3-pyridinylthio)methylidene]-1-cyclohexa-1,5-dienyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[(4Z)-6-phenyl-4-(pyridin-3-ylsulfanylmethylidene)cyclohexa-1,5-diene-1-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[(4Z)-6-phenyl-4-[(3-pyridylthio)methylene]cyclohexa-1,5-diene-1-carbonyl]amino]butyric acid Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CCC(=CSC2=CN=CC=C2)C=C1C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC/C(=C/SC2=CN=CC=C2)/C=C1C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O3S2/c1-30-13-11-22(24(28)29)26-23(27)20-10-9-17(16-31-19-8-5-12-25-15-19)14-21(20)18-6-3-2-4-7-18/h2-8,10,12,14-16,22H,9,11,13H2,1H3,(H,26,27)(H,28,29)/b17-16-