[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C24H28N2O3S/c1-16(2)13-26(14-17(3)4)23(27)15-29-24(28)19-12-21(22-10-7-11-30-22)25-20-9-6-5-8-18(19)20/h5-12,16-17H,13-15H2,1-4H3