methyl 2-[(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(2-pyridyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-pyridin-2-ylquinoline-4-carbonyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(2-pyridyl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21BrN4O4S MolecularWeight: 553.42764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)C(=O)N(C)C

InChI

InChI=1S/C25H21BrN4O4S/c1-13-20(25(33)34-4)23(35-21(13)24(32)30(2)3)29-22(31)16-12-19(18-7-5-6-10-27-18)28-17-9-8-14(26)11-15(16)17/h5-12H,1-4H3,(H,29,31)