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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-6-22-16(21)13-10(3)12(5)23-15(13)17-14(20)11(4)19-8-7-9(2)18-19/h7-8,11H,6H2,1-5H3,(H,17,20)