ethyl 5-aminocarbonyl-4-methyl-2-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[[2-(1-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C

InChI

InChI=1S/C23H21N5O4S/c1-4-32-23(31)18-12(2)19(20(24)29)33-22(18)27-21(30)15-9-17(13-10-25-28(3)11-13)26-16-8-6-5-7-14(15)16/h5-11H,4H2,1-3H3,(H2,24,29)(H,27,30)