[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H16N2O4S/c24-20(22-12-14-5-4-10-28-14)13-27-21(25)16-11-18(19-8-3-9-26-19)23-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,24)