methyl 1-[3-(methylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(methylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(methylthio)methyl]benzoyl]isonipecotic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)13-6-8-17(9-7-13)15(18)14-5-3-4-12(10-14)11-21-2/h3-5,10,13H,6-9,11H2,1-2H3