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

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)N(CC)CC)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)N(CC)CC)C)C(=O)OCC

InChI

InChI=1S/C31H33N3O4S/c1-6-20-14-16-21(17-15-20)25-18-23(22-12-10-11-13-24(22)32-25)28(35)33-29-26(31(37)38-9-4)19(5)27(39-29)30(36)34(7-2)8-3/h10-18H,6-9H2,1-5H3,(H,33,35)