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

Systemtic Name: methyl 2-[[2-(2-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(2-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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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=C4OC(C)C)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC(C)C)C(=O)OC

InChI

InChI=1S/C28H28N2O4S/c1-5-10-18-15-22(28(32)33-4)27(35-18)30-26(31)21-16-24(29-23-13-8-6-11-19(21)23)20-12-7-9-14-25(20)34-17(2)3/h6-9,11-17H,5,10H2,1-4H3,(H,30,31)