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

Systemtic Name: 3-oxidanylidene-2-phenoxy-3-phenylazanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]sulfanyl-propanoic acid Openeye Name: 3-anilino-3-oxo-2-phenoxy-2-[2-(2H-tetrazol-5-yl)phenyl]sulfanyl-propanoic acid CAS Name: 3-anilino-3-oxo-2-phenoxy-2-[[2-(2H-tetrazol-5-yl)phenyl]thio]propanoic acid IUPAC Name: 3-anilino-3-oxo-2-phenoxy-2-[2-(2H-tetrazol-5-yl)phenyl]sulfanylpropanoic acid Traditional Name: 3-anilino-3-keto-2-phenoxy-2-[[2-(2H-tetrazol-5-yl)phenyl]thio]propionic acid Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O4S/c28-20(23-15-9-3-1-4-10-15)22(21(29)30,31-16-11-5-2-6-12-16)32-18-14-8-7-13-17(18)19-24-26-27-25-19/h1-14H,(H,23,28)(H,29,30)(H,24,25,26,27)