(1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid 1-benzoylpropyl ester Formula: C25H20BrNO3S MolecularWeight: 494.4002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CS4

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CS4

InChI

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