[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C24H18BrNO3S MolecularWeight: 480.37362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H18BrNO3S/c25-17-11-9-16(10-12-17)22(27)7-3-13-29-24(28)19-15-21(23-8-4-14-30-23)26-20-6-2-1-5-18(19)20/h1-2,4-6,8-12,14-15H,3,7,13H2