[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H24N2O4S/c1-13-2-4-15(5-3-13)25-11-8-17(22)24-12-16(21)20-9-6-14(7-10-20)18(19)23/h2-5,14H,6-12H2,1H3,(H2,19,23)