[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCC(CC2)C(=O)N

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H22N2O5S/c1-12(21)11-26-15-5-3-2-4-14(15)18(24)25-10-16(22)20-8-6-13(7-9-20)17(19)23/h2-5,13H,6-11H2,1H3,(H2,19,23)