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

Systemtic Name: ethyl 4,5-dimethyl-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)CN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)CN2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O5S/c1-6-26-17(23)14-11(4)12(5)27-16(14)18-15(22)9(2)8-20-10(3)7-13(19-20)21(24)25/h7,9H,6,8H2,1-5H3,(H,18,22)