ethyl 1-(3-methylsulfanylpropanoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methylsulfanylpropanoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-methylsulfanylpropanoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[3-(methylthio)-1-oxopropyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylsulfanylpropanoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[3-(methylthio)propanoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCSC)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCSC)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H31NO3S/c1-3-25-20(24)21(12-7-10-18-8-5-4-6-9-18)13-15-22(16-14-21)19(23)11-17-26-2/h4-6,8-9H,3,7,10-17H2,1-2H3