ethyl 1-(2-methylsulfanylethanoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-methylsulfanylethanoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methylsulfanylacetyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[2-(methylthio)-1-oxoethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfanylacetyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)acetyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO3S/c1-3-24-19(23)20(11-7-10-17-8-5-4-6-9-17)12-14-21(15-13-20)18(22)16-25-2/h4-6,8-9H,3,7,10-16H2,1-2H3