[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O3S/c19-15-6-1-2-7-16(15)25-9-8-18(23)24-12-17(22)21-14-5-3-4-13(10-14)11-20/h1-7,10H,8-9,12H2,(H,21,22)