methyl 6-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H12BrClN4O6S MolecularWeight: 539.74378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C19H12BrClN4O6S/c1-30-19(27)16-15(21)11-4-2-9(6-14(11)32-16)22-18(26)13-5-3-10(31-13)7-24-8-12(20)17(23-24)25(28)29/h2-6,8H,7H2,1H3,(H,22,26)