[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S/c1-3-10-21-19(23)13(2)25-20(24)15-12-17(18-9-6-11-26-18)22-16-8-5-4-7-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,21,23)