ethyl 1-phenethyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-phenethyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-phenethyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate CAS Name: 1-phenethyl-4-[2-(phenylthio)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenethyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate Traditional Name: 1-phenethyl-4-[2-(phenylthio)phenyl]isonipecotic acid ethyl ester Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C28H31NO2S/c1-2-31-27(30)28(18-21-29(22-19-28)20-17-23-11-5-3-6-12-23)25-15-9-10-16-26(25)32-24-13-7-4-8-14-24/h3-16H,2,17-22H2,1H3