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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)N2C=C(C=N2)[N+](=O)[O-]

InChI

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