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

Systemtic Name: methyl 2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[(2-m-phenetylquinoline-4-carbonyl)amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4S/c1-4-9-19-15-22(27(31)32-3)26(34-19)29-25(30)21-16-24(28-23-13-7-6-12-20(21)23)17-10-8-11-18(14-17)33-5-2/h6-8,10-16H,4-5,9H2,1-3H3,(H,29,30)