ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S/c1-4-29-21(28)17-13(2)18(19(27)22-3)30-20(17)24-16(26)10-14-11-23-25(12-14)15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3,(H,22,27)(H,24,26)