[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-2-27-18-10-4-3-9-17(18)20(25)26-14-19(24)23(12-6-11-22)16-8-5-7-15(21)13-16/h3-5,7-10,13H,2,6,12,14H2,1H3