ethyl 1-(3-methylsulfanylpropyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methylsulfanylpropyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-methylsulfanylpropyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[3-(methylthio)propyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylsulfanylpropyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[3-(methylthio)propyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCSC)CCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCSC)CCOC2=CC=CC=C2

InChI

InChI=1S/C20H31NO3S/c1-3-23-19(22)20(12-16-24-18-8-5-4-6-9-18)10-14-21(15-11-20)13-7-17-25-2/h4-6,8-9H,3,7,10-17H2,1-2H3