[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)C#N

InChI

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