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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H20BrNO3S MolecularWeight: 494.4002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CS4)C

InChI

InChI=1S/C25H20BrNO3S/c1-14-6-7-17(9-15(14)2)22(28)13-30-25(29)20-12-21(23-5-4-8-31-23)27-24-16(3)10-18(26)11-19(20)24/h4-12H,13H2,1-3H3