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

Systemtic Name: methyl 5-aminocarbonyl-2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H14BrN5O6S MolecularWeight: 460.25986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN5O6S/c1-6-9(14(23)26-2)13(27-10(6)11(16)22)17-8(21)3-4-19-5-7(15)12(18-19)20(24)25/h5H,3-4H2,1-2H3,(H2,16,22)(H,17,21)