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

Systemtic Name: ethyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4,5-dimethyl-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)N2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-7-26-17(23)13-8(2)12(6)27-16(13)18-15(22)11(5)20-10(4)14(21(24)25)9(3)19-20/h11H,7H2,1-6H3,(H,18,22)