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

Systemtic Name: 5-[[2-ethoxy-4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-ethoxy-4-[(phenylcarbamothioylhydrazono)methyl]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-ethoxy-4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-ethoxy-4-[(phenylthiocarbamoylhydrazono)methyl]phenoxy]methyl]-2-furoic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C22H21N3O5S/c1-2-28-20-12-15(13-23-25-22(31)24-16-6-4-3-5-7-16)8-10-18(20)29-14-17-9-11-19(30-17)21(26)27/h3-13H,2,14H2,1H3,(H,26,27)(H2,24,25,31)