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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C16H20N2O4S/c1-12(19)17-7-9-18(10-8-17)15(20)11-22-16(21)13-5-3-4-6-14(13)23-2/h3-6H,7-11H2,1-2H3