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

Systemtic Name: 4-methylsulfanyl-2-[[(4Z)-2-phenoxy-4-(pyridin-3-yloxymethylidene)cyclohexa-2,5-dien-1-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[(4Z)-2-phenoxy-4-(3-pyridyloxymethylene)cyclohexa-2,5-diene-1-carbonyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[(4Z)-2-phenoxy-4-(3-pyridinyloxymethylidene)-1-cyclohexa-2,5-dienyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[(4Z)-2-phenoxy-4-(pyridin-3-yloxymethylidene)cyclohexa-2,5-diene-1-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[(4Z)-2-phenoxy-4-(3-pyridyloxymethylene)cyclohexa-2,5-diene-1-carbonyl]amino]butyric acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1C=CC(=COC2=CN=CC=C2)C=C1OC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1C=C/C(=C/OC2=CN=CC=C2)/C=C1OC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-32-13-11-21(24(28)29)26-23(27)20-10-9-17(16-30-19-8-5-12-25-15-19)14-22(20)31-18-6-3-2-4-7-18/h2-10,12,14-16,20-21H,11,13H2,1H3,(H,26,27)(H,28,29)/b17-16-