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

Systemtic Name: methyl 5-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5S/c1-8-5-10(13(19)22-2)12(23-8)15-11(18)3-4-16-7-9(6-14-16)17(20)21/h5-7H,3-4H2,1-2H3,(H,15,18)