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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-p-phenetyl-quinoline-4-carbonyl)amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C)C(=O)OCC

InChI

InChI=1S/C26H23BrN2O4S/c1-4-32-18-9-6-16(7-10-18)23-14-20(19-13-17(27)8-11-22(19)28-23)24(30)29-25-21(12-15(3)34-25)26(31)33-5-2/h6-14H,4-5H2,1-3H3,(H,29,30)