methyl 2-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-isopropylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-butoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]-5-methyl-4-p-cumenyl-thiophene-3-carboxylic acid methyl ester Formula: C36H36N2O4S MolecularWeight: 592.74704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C(=O)OC

InChI

InChI=1S/C36H36N2O4S/c1-6-7-20-42-27-18-16-25(17-19-27)31-21-29(28-10-8-9-11-30(28)37-31)34(39)38-35-33(36(40)41-5)32(23(4)43-35)26-14-12-24(13-15-26)22(2)3/h8-19,21-22H,6-7,20H2,1-5H3,(H,38,39)