[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[4-(2-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-27-18-9-5-2-6-15(18)20(25)26-14-19(24)23-12-10-22(11-13-23)17-8-4-3-7-16(17)21/h2-9H,10-14H2,1H3