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

Systemtic Name: 5-[[4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(carbamothioylhydrazono)methyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-ethoxy-4-[(thiocarbamoylhydrazono)methyl]phenoxy]methyl]-2-furoic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H17N3O5S/c1-2-22-14-7-10(8-18-19-16(17)25)3-5-12(14)23-9-11-4-6-13(24-11)15(20)21/h3-8H,2,9H2,1H3,(H,20,21)(H3,17,19,25)