[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)Cl

InChI

InChI=1S/C17H16Cl2N2O3S/c18-12-2-4-13(5-3-12)25-8-7-21-16(22)10-24-17(23)11-1-6-14(19)15(20)9-11/h1-6,9H,7-8,10,20H2,(H,21,22)