propyl 2-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C21H22BrN5O7S MolecularWeight: 568.39768

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H22BrN5O7S/c1-5-8-33-21(30)15-11(2)16(20(29)25(3)4)35-19(15)23-18(28)14-7-6-12(34-14)9-26-10-13(22)17(24-26)27(31)32/h6-7,10H,5,8-9H2,1-4H3,(H,23,28)