[4-[(E)-[(5-tert-butyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-[(5-tert-butyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[[(5-tert-butyl-1H-pyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=NNC(=C2)C(C)(C)C)OC(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NNC(=C2)C(C)(C)C)OC(=O)C3=CC=CS3

InChI

InChI=1S/C22H24N4O4S/c1-5-29-17-11-14(8-9-16(17)30-21(28)18-7-6-10-31-18)13-23-26-20(27)15-12-19(25-24-15)22(2,3)4/h6-13H,5H2,1-4H3,(H,24,25)(H,26,27)/b23-13+