methyl 5-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S/c1-4-11(17-7-9(6-15-17)18(21)22)12(19)16-13-10(14(20)23-3)5-8(2)24-13/h5-7,11H,4H2,1-3H3,(H,16,19)