[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C17H23NO4S/c1-12-5-4-8-18(10-12)16(19)11-22-17(20)14-7-6-13(23-3)9-15(14)21-2/h6-7,9,12H,4-5,8,10-11H2,1-3H3