[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 6-ethoxy-1,2-benzothiazole-3-carboxylate; methanoic acid

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 6-ethoxy-1,2-benzothiazole-3-carboxylate; methanoic acid Openeye Name: formic acid; [(3S)-quinuclidin-3-yl] 6-ethoxy-1,2-benzothiazole-3-carboxylate CAS Name: 6-ethoxy-1,2-benzothiazole-3-carboxylic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester; formic acid IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 6-ethoxy-1,2-benzothiazole-3-carboxylate; formic acid Traditional Name: 6-ethoxy-1,2-benzothiazole-3-carboxylic acid [(3S)-quinuclidin-3-yl] ester; formic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=NS2)C(=O)OC3CN4CCC3CC4.C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=NS2)C(=O)O[C@@H]3CN4CCC3CC4.C(=O)O

InChI

InChI=1S/C17H20N2O3S.CH2O2/c1-2-21-12-3-4-13-15(9-12)23-18-16(13)17(20)22-14-10-19-7-5-11(14)6-8-19;2-1-3/h3-4,9,11,14H,2,5-8,10H2,1H3;1H,(H,2,3)/t14-;/m1./s1