[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: [2-(2-acetylhydrazino)-2-oxo-ethyl] 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid [2-(acetylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid [2-(N'-acetylhydrazino)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-14(24)22-23-19(25)11-27-21(26)20-17(16-9-5-6-10-18(16)28-20)13-29-12-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,24)(H,23,25)