[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H16Cl2N2O3S MolecularWeight: 423.31294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O3S/c20-14-4-7-16(8-5-14)27-9-1-2-19(25)26-12-18(24)23-15-6-3-13(11-22)17(21)10-15/h3-8,10H,1-2,9,12H2,(H,23,24)