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

Systemtic Name: O2-ethyl O4-methyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C19H24N4O7S MolecularWeight: 452.48146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O7S/c1-7-30-19(26)15-10(3)13(18(25)29-6)17(31-15)20-16(24)9(2)8-22-12(5)14(23(27)28)11(4)21-22/h9H,7-8H2,1-6H3,(H,20,24)