[2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-(N-isopropylanilino)anilino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[4-(N-isopropylanilino)anilino]-2-keto-ethyl] ester Formula: C31H27N3O3S MolecularWeight: 521.62938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C31H27N3O3S/c1-21(2)34(23-9-4-3-5-10-23)24-16-14-22(15-17-24)32-30(35)20-37-31(36)26-19-28(29-13-8-18-38-29)33-27-12-7-6-11-25(26)27/h3-19,21H,20H2,1-2H3,(H,32,35)