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

Systemtic Name: methyl 5-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(3-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(3-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)CCN2C=C(C(=N2)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCN2C=C(C(=N2)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H16N4O5S/c1-8-6-10(14(20)23-3)13(24-8)15-12(19)4-5-17-7-11(18(21)22)9(2)16-17/h6-7H,4-5H2,1-3H3,(H,15,19)