5-(3-chlorophenyl)-3-[[(Z)-3-methoxy-2-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(3-chlorophenyl)-3-[[(Z)-3-methoxy-2-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]thiophene-2-carboxylic acid Openeye Name: 5-(3-chlorophenyl)-3-[[(Z)-3-methoxy-2-methylsulfanyl-3-oxo-prop-1-enyl]amino]thiophene-2-carboxylic acid CAS Name: 5-(3-chlorophenyl)-3-[[(Z)-3-methoxy-2-(methylthio)-3-oxoprop-1-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-chlorophenyl)-3-[[(Z)-3-methoxy-2-methylsulfanyl-3-oxoprop-1-enyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-(3-chlorophenyl)-3-[[(Z)-3-keto-3-methoxy-2-(methylthio)prop-1-enyl]amino]-2-thenoic acid Formula: C16H14ClNO4S2 MolecularWeight: 383.86966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=C(SC(=C1)C2=CC(=CC=C2)Cl)C(=O)O)SC

Isomeric SMILES

COC(=O)/C(=C/NC1=C(SC(=C1)C2=CC(=CC=C2)Cl)C(=O)O)/SC

InChI

InChI=1S/C16H14ClNO4S2/c1-22-16(21)13(23-2)8-18-11-7-12(24-14(11)15(19)20)9-4-3-5-10(17)6-9/h3-8,18H,1-2H3,(H,19,20)/b13-8-