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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-6-12(20-9(3)8-13(19-20)21(24)25)15(22)18-16-14(17(23)26-7-2)10(4)11(5)27-16/h8,12H,6-7H2,1-5H3,(H,18,22)