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

Systemtic Name: ethyl 1-[6-(4-methylthiophen-2-yl)-3-(3-oxidanylpropylcarbamoyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3-hydroxypropylcarbamoyl)-6-(4-methyl-2-thienyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-hydroxypropylamino)-oxomethyl]-6-(4-methyl-2-thiophenyl)-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-hydroxypropylcarbamoyl)-6-(4-methylthiophen-2-yl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-hydroxypropylcarbamoyl)-6-(4-methyl-2-thienyl)-2-pyridyl]isonipecotic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)C3=CC(=CS3)C)C(=O)NCCCO

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)C3=CC(=CS3)C)C(=O)NCCCO

InChI

InChI=1S/C22H29N3O4S/c1-3-29-22(28)16-7-10-25(11-8-16)20-17(21(27)23-9-4-12-26)5-6-18(24-20)19-13-15(2)14-30-19/h5-6,13-14,16,26H,3-4,7-12H2,1-2H3,(H,23,27)