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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(CC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(CC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O7S/c1-6-8-30-18(25)14-11(4)15(19(26)29-5)31-17(14)20-16(24)12(7-2)22-10(3)9-13(21-22)23(27)28/h9,12H,6-8H2,1-5H3,(H,20,24)