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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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-methyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

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