methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]benzoic acid methyl ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

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