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

Systemtic Name: ethyl 1-[(3-sulfanylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-sulfanylphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-mercaptophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-sulfanylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(3-mercaptobenzyl)isonipecotic acid ethyl ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)S

InChI

InChI=1S/C15H21NO2S/c1-2-18-15(17)13-6-8-16(9-7-13)11-12-4-3-5-14(19)10-12/h3-5,10,13,19H,2,6-9,11H2,1H3