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

Systemtic Name: O2-ethyl O4-methyl 5-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl 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)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)C(=O)OC)C

InChI

InChI=1S/C16H17BrN4O7S/c1-5-28-16(24)12-7(2)10(15(23)27-4)14(29-12)18-9(22)6-20-8(3)11(17)13(19-20)21(25)26/h5-6H2,1-4H3,(H,18,22)