4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(5-esyl-1,3-benzoxazol-2-yl)vinyl]benzoic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15NO5S/c1-2-25(22,23)14-8-9-16-15(11-14)19-17(24-16)10-5-12-3-6-13(7-4-12)18(20)21/h3-11H,2H2,1H3,(H,20,21)/b10-5+