5-[[2-methoxy-4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-methoxy-4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-methoxy-4-[(phenylcarbamothioylhydrazono)methyl]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-methoxy-4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-methoxy-4-[(phenylthiocarbamoylhydrazono)methyl]phenoxy]methyl]-2-furoic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C21H19N3O5S/c1-27-19-11-14(12-22-24-21(30)23-15-5-3-2-4-6-15)7-9-17(19)28-13-16-8-10-18(29-16)20(25)26/h2-12H,13H2,1H3,(H,25,26)(H2,23,24,30)