[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 6-bromo-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C24H18BrNO4S MolecularWeight: 496.37302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H18BrNO4S/c1-14-9-16(25)11-18-19(12-20(26-23(14)18)22-7-4-8-31-22)24(28)30-13-21(27)15-5-3-6-17(10-15)29-2/h3-12H,13H2,1-2H3