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

Systemtic Name: methyl 5-methyl-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-methyl-3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]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)CN2C=C(C=N2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C(C)CN2C=C(C=N2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H16N4O5S/c1-8(6-17-7-10(5-15-17)18(21)22)12(19)16-13-11(14(20)23-3)4-9(2)24-13/h4-5,7-8H,6H2,1-3H3,(H,16,19)