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

Systemtic Name: O2-methyl O4-propyl 5-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 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-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 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-methyl ester O4-propyl ester Formula: C17H19BrN4O7S MolecularWeight: 503.32436

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H19BrN4O7S/c1-5-6-29-16(24)11-8(2)13(17(25)28-4)30-15(11)19-10(23)7-21-9(3)12(18)14(20-21)22(26)27/h5-7H2,1-4H3,(H,19,23)