ethyl 1-(2-methylsulfanylpyridin-3-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-methylsulfanylpyridin-3-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methylsulfanylpyridine-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfanylpyridine-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)nicotinoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)SC)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)SC)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3S/c1-3-29-23(28)24(13-7-11-19-9-5-4-6-10-19)14-17-26(18-15-24)22(27)20-12-8-16-25-21(20)30-2/h4-6,8-10,12,16H,3,7,11,13-15,17-18H2,1-2H3