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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C(=O)OC

InChI

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