[2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[(4-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxoethyl] 6-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-methyl-2-(2-thienyl)cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C30H20BrNO5S MolecularWeight: 586.4525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)C5=CC=CS5

InChI

InChI=1S/C30H20BrNO5S/c1-18-4-13-25-23(15-18)24(16-26(32-25)28-3-2-14-38-28)30(35)36-17-27(33)19-7-11-22(12-8-19)37-29(34)20-5-9-21(31)10-6-20/h2-16H,17H2,1H3