ethyl 5-ethanoyl-4-methyl-2-[2-(5-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(5-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[2-(5-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[2-(5-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[2-(5-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C(C)N2C(=CC=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C(C)N2C(=CC=N2)C

InChI

InChI=1S/C17H21N3O4S/c1-6-24-17(23)13-10(3)14(12(5)21)25-16(13)19-15(22)11(4)20-9(2)7-8-18-20/h7-8,11H,6H2,1-5H3,(H,19,22)