methyl 2-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)C(=O)OC

InChI

InChI=1S/C27H26N2O3S/c1-5-8-19-14-22(27(31)32-4)26(33-19)29-25(30)21-15-24(18-12-11-16(2)17(3)13-18)28-23-10-7-6-9-20(21)23/h6-7,9-15H,5,8H2,1-4H3,(H,29,30)