methyl 1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-methoxy-4-methylsulfanyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methoxy-4-methylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-methoxy-4-(methylthio)benzoyl]isonipecotic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H21NO4S/c1-20-14-10-12(22-3)4-5-13(14)15(18)17-8-6-11(7-9-17)16(19)21-2/h4-5,10-11H,6-9H2,1-3H3