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

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-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=C1C#N)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

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