3-oxidanylidene-2-(4-oxidanylphenoxy)-3-[phenyl-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]sulfanyl-amino]propanoic acid

Systemtic Name: 3-oxidanylidene-2-(4-oxidanylphenoxy)-3-[phenyl-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]sulfanyl-amino]propanoic acid Openeye Name: 2-(4-hydroxyphenoxy)-3-oxo-3-(N-[2-(2H-tetrazol-5-yl)phenyl]sulfanylanilino)propanoic acid CAS Name: 2-(4-hydroxyphenoxy)-3-oxo-3-(N-[[2-(2H-tetrazol-5-yl)phenyl]thio]anilino)propanoic acid IUPAC Name: 2-(4-hydroxyphenoxy)-3-oxo-3-(N-[2-(2H-tetrazol-5-yl)phenyl]sulfanylanilino)propanoic acid Traditional Name: 2-(4-hydroxyphenoxy)-3-keto-3-(N-[[2-(2H-tetrazol-5-yl)phenyl]thio]anilino)propionic acid Formula: C22H17N5O5S MolecularWeight: 463.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(=O)C(C(=O)O)OC2=CC=C(C=C2)O)SC3=CC=CC=C3C4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)N(C(=O)C(C(=O)O)OC2=CC=C(C=C2)O)SC3=CC=CC=C3C4=NNN=N4

InChI

InChI=1S/C22H17N5O5S/c28-15-10-12-16(13-11-15)32-19(22(30)31)21(29)27(14-6-2-1-3-7-14)33-18-9-5-4-8-17(18)20-23-25-26-24-20/h1-13,19,28H,(H,30,31)(H,23,24,25,26)