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

Systemtic Name: O2-methyl O4-propyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]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)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O7S/c1-6-7-29-17(24)13-10(3)14(18(25)28-5)30-16(13)19-15(23)11(4)21-9(2)8-12(20-21)22(26)27/h8,11H,6-7H2,1-5H3,(H,19,23)