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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-benzoylanilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(2-benzoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2-benzoylanilino)-2-keto-ethyl] ester Formula: C29H20N2O4S MolecularWeight: 492.5451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C29H20N2O4S/c32-27(31-24-14-7-5-12-21(24)28(33)19-9-2-1-3-10-19)18-35-29(34)22-17-25(26-15-8-16-36-26)30-23-13-6-4-11-20(22)23/h1-17H,18H2,(H,31,32)