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

Systemtic Name: methyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-isobutylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[2-[4-(2-methylpropyl)phenyl]-4-quinolinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-isobutylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S/c1-16(2)13-18-9-11-19(12-10-18)24-15-21(20-7-5-6-8-23(20)28-24)25(30)29-26-22(27(31)32-4)14-17(3)33-26/h5-12,14-16H,13H2,1-4H3,(H,29,30)