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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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-ethyl ester O4-methyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)N2C(=CC(=N2)[N+](=O)[O-])C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)N2C(=CC(=N2)[N+](=O)[O-])C)C(=O)OC)C

InChI

InChI=1S/C17H20N4O7S/c1-6-28-17(24)13-9(3)12(16(23)27-5)15(29-13)18-14(22)10(4)20-8(2)7-11(19-20)21(25)26/h7,10H,6H2,1-5H3,(H,18,22)