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

Systemtic Name: O4-tert-butyl O2-ethyl 5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-ethyl 5-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester IUPAC Name: 4-O-tert-butyl 2-O-ethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester Formula: C20H26N4O7S MolecularWeight: 466.50804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H26N4O7S/c1-8-30-19(27)16-10(2)14(18(26)31-20(5,6)7)17(32-16)21-13(25)9-23-12(4)15(24(28)29)11(3)22-23/h8-9H2,1-7H3,(H,21,25)