2-benzamido-3-[(7-oxidanyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxy-propanoic acid

Systemtic Name: 2-benzamido-3-[(7-oxidanyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxy-propanoic acid Openeye Name: 2-benzamido-3-[(7-hydroxy-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxy-propanoic acid CAS Name: 2-benzamido-3-[(7-hydroxy-1,3-benzoxazol-2-yl)thio]-2-phenoxypropanoic acid IUPAC Name: 2-benzamido-3-[(7-hydroxy-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxypropanoic acid Traditional Name: 2-benzamido-3-[(7-hydroxy-1,3-benzoxazol-2-yl)thio]-2-phenoxy-propionic acid Formula: C23H18N2O6S MolecularWeight: 450.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSC2=NC3=C(O2)C(=CC=C3)O)(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSC2=NC3=C(O2)C(=CC=C3)O)(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O6S/c26-18-13-7-12-17-19(18)30-22(24-17)32-14-23(21(28)29,31-16-10-5-2-6-11-16)25-20(27)15-8-3-1-4-9-15/h1-13,26H,14H2,(H,25,27)(H,28,29)