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

Systemtic Name: O2-ethyl O4-propyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl 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-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 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-ethyl 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)OCC)NC(=O)C(CC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O7S/c1-6-9-31-19(26)15-12(5)16(20(27)30-8-3)32-18(15)21-17(25)13(7-2)23-11(4)10-14(22-23)24(28)29/h10,13H,6-9H2,1-5H3,(H,21,25)