(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 6-bromo-7-chloro-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 6-bromo-7-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C31H18BrClN2O5S MolecularWeight: 645.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC(=O)C6=CC=CS6

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC(=O)C6=CC=CS6

InChI

InChI=1S/C31H18BrClN2O5S/c1-16-27(33)23(32)13-21-22(31(39)40-15-25(36)26-7-4-12-41-26)14-24(34-28(16)21)17-8-10-18(11-9-17)35-29(37)19-5-2-3-6-20(19)30(35)38/h2-14H,15H2,1H3