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

Systemtic Name: methyl 5-aminocarbonyl-2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)N

InChI

InChI=1S/C16H19N5O6S/c1-7-11(16(24)27-4)15(28-13(7)14(17)23)18-10(22)5-6-20-9(3)12(21(25)26)8(2)19-20/h5-6H2,1-4H3,(H2,17,23)(H,18,22)