[4-[(E)-(2-benzamidoethanoylhydrazinylidene)methyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-(2-benzamidoethanoylhydrazinylidene)methyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[(2-benzamidoacetyl)hydrazono]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[(2-benzamido-1-oxoethyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2-benzamidoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-(hippuroylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CNC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19N3O5S/c1-29-18-12-15(9-10-17(18)30-22(28)19-8-5-11-31-19)13-24-25-20(26)14-23-21(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,27)(H,25,26)/b24-13+