4-ethanoyl-3-methyl-5-methylsulfanyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide

Systemtic Name: 4-ethanoyl-3-methyl-5-methylsulfanyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide Openeye Name: 4-acetyl-3-methyl-5-methylsulfanyl-N-[2-(3-pyridylmethyl)quinuclidin-3-yl]thiophene-2-carboxamide CAS Name: 4-acetyl-3-methyl-5-(methylthio)-N-[2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-2-thiophenecarboxamide IUPAC Name: 4-acetyl-3-methyl-5-methylsulfanyl-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide Traditional Name: 4-acetyl-3-methyl-5-(methylthio)-N-[2-(3-pyridylmethyl)quinuclidin-3-yl]thiophene-2-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C)SC)C(=O)NC2C3CCN(C2CC4=CN=CC=C4)CC3

Isomeric SMILES

CC1=C(SC(=C1C(=O)C)SC)C(=O)NC2C3CCN(C2CC4=CN=CC=C4)CC3

InChI

InChI=1S/C22H27N3O2S2/c1-13-18(14(2)26)22(28-3)29-20(13)21(27)24-19-16-6-9-25(10-7-16)17(19)11-15-5-4-8-23-12-15/h4-5,8,12,16-17,19H,6-7,9-11H2,1-3H3,(H,24,27)