[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-isobutyl-amino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-isobutyl-amino]-2-keto-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CC(C)CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C20H24N2O6S/c1-13(2)10-22(14-7-8-29(26,27)12-14)19(24)11-28-20(25)16-9-18(23)21-17-6-4-3-5-15(16)17/h3-6,9,13-14H,7-8,10-12H2,1-2H3,(H,21,23)/t14-/m0/s1