[2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonyloxyphenyl)ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 2-(4-benzyloxyphenyl)-6-bromo-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methoxy]phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyloxy)phenyl]ethyl] 6-bromo-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-cinchoninic acid [2-keto-2-[4-(2-thenoyloxy)phenyl]ethyl] ester Formula: C36H24BrNO6S MolecularWeight: 678.54786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CS6

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CS6

InChI

InChI=1S/C36H24BrNO6S/c37-26-12-17-31-29(19-26)30(20-32(38-31)24-8-13-27(14-9-24)42-21-23-5-2-1-3-6-23)35(40)43-22-33(39)25-10-15-28(16-11-25)44-36(41)34-7-4-18-45-34/h1-20H,21-22H2