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

Systemtic Name: ethyl 4-aminocarbonyl-5-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N

InChI

InChI=1S/C27H25N3O5S/c1-4-34-17-12-10-16(11-13-17)21-14-19(18-8-6-7-9-20(18)29-21)25(32)30-26-22(24(28)31)15(3)23(36-26)27(33)35-5-2/h6-14H,4-5H2,1-3H3,(H2,28,31)(H,30,32)