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

Systemtic Name: 2-benzamido-3-[(7-methyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxy-propanoic acid Openeye Name: 2-benzamido-3-[(7-methyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxy-propanoic acid CAS Name: 2-benzamido-3-[(7-methyl-1,3-benzoxazol-2-yl)thio]-2-phenoxypropanoic acid IUPAC Name: 2-benzamido-3-[(7-methyl-1,3-benzoxazol-2-yl)sulfanyl]-2-phenoxypropanoic acid Traditional Name: 2-benzamido-3-[(7-methyl-1,3-benzoxazol-2-yl)thio]-2-phenoxy-propionic acid Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(O2)SCC(C(=O)O)(NC(=O)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(O2)SCC(C(=O)O)(NC(=O)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O5S/c1-16-9-8-14-19-20(16)30-23(25-19)32-15-24(22(28)29,31-18-12-6-3-7-13-18)26-21(27)17-10-4-2-5-11-17/h2-14H,15H2,1H3,(H,26,27)(H,28,29)