ethyl 1-[(4-ethylsulfanylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-ethylsulfanylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-ethylsulfanylphenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[[4-(ethylthio)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethylsulfanylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[4-(ethylthio)benzyl]nipecotic acid ethyl ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC=C(C=C2)SCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CC=C(C=C2)SCC

InChI

InChI=1S/C17H25NO2S/c1-3-20-17(19)15-6-5-11-18(13-15)12-14-7-9-16(10-8-14)21-4-2/h7-10,15H,3-6,11-13H2,1-2H3