[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C30H22ClN3O5S MolecularWeight: 572.03078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C30H22ClN3O5S/c1-2-38-30(37)27-21(18-9-3-5-11-22(18)31)17-40-28(27)34-26(35)16-39-29(36)20-15-25(24-13-7-8-14-32-24)33-23-12-6-4-10-19(20)23/h3-15,17H,2,16H2,1H3,(H,34,35)