2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid

Systemtic Name: 2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid Openeye Name: 2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid CAS Name: 2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid IUPAC Name: 2-[2-(4-methylsulfonylphenyl)-1,3-benzoxazol-5-yl]propanoic acid Traditional Name: 2-[2-(4-mesylphenyl)-1,3-benzoxazol-5-yl]propionic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H15NO5S/c1-10(17(19)20)12-5-8-15-14(9-12)18-16(23-15)11-3-6-13(7-4-11)24(2,21)22/h3-10H,1-2H3,(H,19,20)