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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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