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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C23H18N2O3S MolecularWeight: 402.46562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H18N2O3S/c26-22(24-14-16-7-2-1-3-8-16)15-28-23(27)18-13-20(21-11-6-12-29-21)25-19-10-5-4-9-17(18)19/h1-13H,14-15H2,(H,24,26)