2-(1,3-benzoxazol-2-yl)-2-[5-(phenylmethyl)sulfonyl-1,3-benzoxazol-2-yl]ethanoic acid

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-2-[5-(phenylmethyl)sulfonyl-1,3-benzoxazol-2-yl]ethanoic acid Openeye Name: 2-(1,3-benzoxazol-2-yl)-2-(5-benzylsulfonyl-1,3-benzoxazol-2-yl)acetic acid CAS Name: 2-(1,3-benzoxazol-2-yl)-2-[5-(phenylmethyl)sulfonyl-1,3-benzoxazol-2-yl]acetic acid IUPAC Name: 2-(1,3-benzoxazol-2-yl)-2-(5-benzylsulfonyl-1,3-benzoxazol-2-yl)acetic acid Traditional Name: 2-(1,3-benzoxazol-2-yl)-2-(5-benzylsulfonyl-1,3-benzoxazol-2-yl)acetic acid Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)C(C4=NC5=CC=CC=C5O4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)C(C4=NC5=CC=CC=C5O4)C(=O)O

InChI

InChI=1S/C23H16N2O6S/c26-23(27)20(21-24-16-8-4-5-9-18(16)30-21)22-25-17-12-15(10-11-19(17)31-22)32(28,29)13-14-6-2-1-3-7-14/h1-12,20H,13H2,(H,26,27)