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

Systemtic Name: methyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-butylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H25BrN2O3S MolecularWeight: 537.468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C)C(=O)OC

InChI

InChI=1S/C27H25BrN2O3S/c1-4-5-6-17-7-9-18(10-8-17)24-15-21(20-14-19(28)11-12-23(20)29-24)25(31)30-26-22(27(32)33-3)13-16(2)34-26/h7-15H,4-6H2,1-3H3,(H,30,31)