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

Systemtic Name: ethyl 1-[3-(2-hydroxyethylcarbamoyl)-6-(4-methylsulfanylphenyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(2-hydroxyethylcarbamoyl)-6-(4-methylsulfanylphenyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-[(2-hydroxyethylamino)-oxomethyl]-6-[4-(methylthio)phenyl]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-hydroxyethylcarbamoyl)-6-(4-methylsulfanylphenyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(2-hydroxyethylcarbamoyl)-6-[4-(methylthio)phenyl]-2-pyridyl]isonipecotic acid ethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-3-30-23(29)17-10-13-26(14-11-17)21-19(22(28)24-12-15-27)8-9-20(25-21)16-4-6-18(31-2)7-5-16/h4-9,17,27H,3,10-15H2,1-2H3,(H,24,28)