1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-methylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-methylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(3,4-dimethoxybenzoyl)-1-piperidyl]-2-methylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]-2-(methylthio)ethanone IUPAC Name: 1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-methylsulfanylethanone Traditional Name: 2-(methylthio)-1-[(3S)-3-veratroylpiperidino]ethanone Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCCN(C2)C(=O)CSC)OC

InChI

InChI=1S/C17H23NO4S/c1-21-14-7-6-12(9-15(14)22-2)17(20)13-5-4-8-18(10-13)16(19)11-23-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1