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

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCC(CC2)C(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H22N2O5S/c1-23-14-9-12(25-2)3-4-13(14)17(22)24-10-15(20)19-7-5-11(6-8-19)16(18)21/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,21)