4-[5-methyl-5-[(E)-2-(phenylsulfonyl)ethenyl]-4H-1,2-oxazol-3-yl]benzoic acid

Systemtic Name: 4-[5-methyl-5-[(E)-2-(phenylsulfonyl)ethenyl]-4H-1,2-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-[(E)-2-(benzenesulfonyl)vinyl]-5-methyl-4H-isoxazol-3-yl]benzoic acid CAS Name: 4-[5-[(E)-2-(benzenesulfonyl)ethenyl]-5-methyl-4H-isoxazol-3-yl]benzoic acid IUPAC Name: 4-[5-[(E)-2-(benzenesulfonyl)ethenyl]-5-methyl-4H-1,2-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-[(E)-2-besylvinyl]-5-methyl-2-isoxazolin-3-yl]benzoic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)C2=CC=C(C=C2)C(=O)O)C=CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1(CC(=NO1)C2=CC=C(C=C2)C(=O)O)/C=C/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO5S/c1-19(11-12-26(23,24)16-5-3-2-4-6-16)13-17(20-25-19)14-7-9-15(10-8-14)18(21)22/h2-12H,13H2,1H3,(H,21,22)/b12-11+