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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-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-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C16H17BrN4O7S MolecularWeight: 489.29778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C(=O)OC(C)C)C

InChI

InChI=1S/C16H17BrN4O7S/c1-5-27-16(24)11-7(4)8(15(23)28-6(2)3)14(29-11)18-13(22)10-9(17)12(20-19-10)21(25)26/h6H,5H2,1-4H3,(H,18,22)(H,19,20)