propyl 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C18H22BrN5O6S MolecularWeight: 516.36618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN5O6S/c1-6-7-30-18(27)12-9(2)14(17(26)22(4)5)31-16(12)20-11(25)8-23-10(3)13(19)15(21-23)24(28)29/h6-8H2,1-5H3,(H,20,25)