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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(C)N2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C(C)N2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC

InChI

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