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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O5S/c1-6-25-16(22)13-9(3)11(5)26-15(13)17-14(21)10(4)19-8(2)7-12(18-19)20(23)24/h7,10H,6H2,1-5H3,(H,17,21)