dipropan-2-yl 5-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(4-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C29H27BrN2O5S MolecularWeight: 595.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C(=O)OC(C)C

InChI

InChI=1S/C29H27BrN2O5S/c1-15(2)36-28(34)24-17(5)25(29(35)37-16(3)4)38-27(24)32-26(33)21-14-23(18-10-12-19(30)13-11-18)31-22-9-7-6-8-20(21)22/h6-16H,1-5H3,(H,32,33)