[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C

InChI

InChI=1S/C20H24N2O3S2/c1-14-6-5-9-22(10-14)19(23)11-25-20(24)17-7-3-4-8-18(17)27-13-16-12-26-15(2)21-16/h3-4,7-8,12,14H,5-6,9-11,13H2,1-2H3