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

Systemtic Name: methyl 2-[[2-(3-propoxyphenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(3-propoxyphenyl)-4-quinolinyl]methyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-propoxyphenyl)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=C4)OCCC)C(=O)OC

Isomeric SMILES

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

InChI

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