methyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-isobutylphenyl)quinoline-4-carbonyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[2-[4-(2-methylpropyl)phenyl]-4-quinolinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-isobutylphenyl)quinoline-4-carbonyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C33H30N2O3S MolecularWeight: 534.6679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H30N2O3S/c1-20(2)18-22-14-16-23(17-15-22)28-19-26(25-12-8-9-13-27(25)34-28)31(36)35-32-30(33(37)38-4)29(21(3)39-32)24-10-6-5-7-11-24/h5-17,19-20H,18H2,1-4H3,(H,35,36)