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

Systemtic Name: ethyl 1-[4-(methylsulfanylmethyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(methylsulfanylmethyl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(methylsulfanylmethyl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(methylthio)methyl]benzoyl]nipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-3-21-17(20)15-5-4-10-18(11-15)16(19)14-8-6-13(7-9-14)12-22-2/h6-9,15H,3-5,10-12H2,1-2H3