ethyl 1-(4-methylsulfanylphenyl)carbonylpiperidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C16H21NO3S/c1-3-20-16(19)13-5-4-10-17(11-13)15(18)12-6-8-14(21-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3