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

Systemtic Name: methyl 2-[[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)OC

InChI

InChI=1S/C25H21BrN2O3S/c1-4-17-12-20(25(30)31-3)24(32-17)28-23(29)19-13-22(15-7-5-6-14(2)10-15)27-21-9-8-16(26)11-18(19)21/h5-13H,4H2,1-3H3,(H,28,29)