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

Systemtic Name: ethyl 2-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H17BrN4O7S MolecularWeight: 525.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O7S/c1-4-30-19(27)14-9(2)15(10(3)25)32-18(14)21-17(26)13-6-5-11(31-13)7-23-8-12(20)16(22-23)24(28)29/h5-6,8H,4,7H2,1-3H3,(H,21,26)