ethyl 1-[6-(4-methylsulfanylphenyl)-3-(2-oxidanylpropylcarbamoyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-methylsulfanylphenyl)-3-(2-oxidanylpropylcarbamoyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(2-hydroxypropylcarbamoyl)-6-(4-methylsulfanylphenyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-[(2-hydroxypropylamino)-oxomethyl]-6-[4-(methylthio)phenyl]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-hydroxypropylcarbamoyl)-6-(4-methylsulfanylphenyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(2-hydroxypropylcarbamoyl)-6-[4-(methylthio)phenyl]-2-pyridyl]isonipecotic acid ethyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)SC)C(=O)NCC(C)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)SC)C(=O)NCC(C)O

InChI

InChI=1S/C24H31N3O4S/c1-4-31-24(30)18-11-13-27(14-12-18)22-20(23(29)25-15-16(2)28)9-10-21(26-22)17-5-7-19(32-3)8-6-17/h5-10,16,18,28H,4,11-15H2,1-3H3,(H,25,29)