[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate

Systemtic Name: [8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate Openeye Name: [8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1-isopropyl-2-oxo-quinoline-3-carboxylate CAS Name: 2-oxo-1-propan-2-yl-3-quinolinecarboxylic acid [8-[2-(methylthio)ethyl]-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1-propan-2-ylquinoline-3-carboxylate Traditional Name: 1-isopropyl-2-keto-quinoline-3-carboxylic acid [8-[2-(methylthio)ethyl]-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)OC3CC4CCC(C3)N4CCSC

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)OC3CC4CCC(C3)N4CCSC

InChI

InChI=1S/C23H30N2O3S/c1-15(2)25-21-7-5-4-6-16(21)12-20(22(25)26)23(27)28-19-13-17-8-9-18(14-19)24(17)10-11-29-3/h4-7,12,15,17-19H,8-11,13-14H2,1-3H3