[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(2-sulfanylphenyl)amino]pentanoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(2-sulfanylphenyl)amino]pentanoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 5-oxo-5-(2-sulfanylanilino)pentanoate CAS Name: 5-(2-mercaptoanilino)-5-oxopentanoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 5-oxo-5-(2-sulfanylanilino)pentanoate Traditional Name: 5-keto-5-(2-mercaptoanilino)valeric acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)S

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)S

InChI

InChI=1S/C19H18ClNO4S/c20-14-10-8-13(9-11-14)16(22)12-25-19(24)7-3-6-18(23)21-15-4-1-2-5-17(15)26/h1-2,4-5,8-11,26H,3,6-7,12H2,(H,21,23)