2-benzamido-2-[(6-oxidanyl-1,3-benzothiazol-2-yl)methylsulfanyl]-2-phenoxy-ethanoic acid

Systemtic Name: 2-benzamido-2-[(6-oxidanyl-1,3-benzothiazol-2-yl)methylsulfanyl]-2-phenoxy-ethanoic acid Openeye Name: 2-benzamido-2-[(6-hydroxy-1,3-benzothiazol-2-yl)methylsulfanyl]-2-phenoxy-acetic acid CAS Name: 2-benzamido-2-[(6-hydroxy-1,3-benzothiazol-2-yl)methylthio]-2-phenoxyacetic acid IUPAC Name: 2-benzamido-2-[(6-hydroxy-1,3-benzothiazol-2-yl)methylsulfanyl]-2-phenoxyacetic acid Traditional Name: 2-benzamido-2-[(6-hydroxy-1,3-benzothiazol-2-yl)methylthio]-2-phenoxy-acetic acid Formula: C23H18N2O5S2 MolecularWeight: 466.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(=O)O)(OC2=CC=CC=C2)SCC3=NC4=C(S3)C=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C(=O)O)(OC2=CC=CC=C2)SCC3=NC4=C(S3)C=C(C=C4)O

InChI

InChI=1S/C23H18N2O5S2/c26-16-11-12-18-19(13-16)32-20(24-18)14-31-23(22(28)29,30-17-9-5-2-6-10-17)25-21(27)15-7-3-1-4-8-15/h1-13,26H,14H2,(H,25,27)(H,28,29)