O2-ethyl O4-propan-2-yl 5-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C21H21BrN4O8S MolecularWeight: 569.38244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)OC(C)C)C

InChI

InChI=1S/C21H21BrN4O8S/c1-5-32-21(29)16-11(4)15(20(28)33-10(2)3)19(35-16)23-18(27)14-7-6-12(34-14)8-25-9-13(22)17(24-25)26(30)31/h6-7,9-10H,5,8H2,1-4H3,(H,23,27)