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

Systemtic Name: O2-methyl O4-propyl 5-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C20H26N4O7S MolecularWeight: 466.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O7S/c1-6-10-31-19(26)15-11(2)17(20(27)30-5)32-18(15)21-14(25)8-7-9-23-13(4)16(24(28)29)12(3)22-23/h6-10H2,1-5H3,(H,21,25)