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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H18BrN5O6S MolecularWeight: 488.31302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5O6S/c1-7(2)28-16(25)11-8(3)12(13(18)24)29-15(11)19-10(23)4-5-21-6-9(17)14(20-21)22(26)27/h6-7H,4-5H2,1-3H3,(H2,18,24)(H,19,23)