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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O3S/c19-13-2-5-15(6-3-13)26-8-7-18(24)25-11-17(23)22-14-4-1-12(10-21)16(20)9-14/h1-6,9H,7-8,11H2,(H,22,23)