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

Systemtic Name: 4-[5-methyl-5-[(E)-2-(phenylsulfonyl)prop-1-enyl]-4H-1,2-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-[(E)-2-(benzenesulfonyl)prop-1-enyl]-5-methyl-4H-isoxazol-3-yl]benzoic acid CAS Name: 4-[5-[(E)-2-(benzenesulfonyl)prop-1-enyl]-5-methyl-4H-isoxazol-3-yl]benzoic acid IUPAC Name: 4-[5-[(E)-2-(benzenesulfonyl)prop-1-enyl]-5-methyl-4H-1,2-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-[(E)-2-besylprop-1-enyl]-5-methyl-2-isoxazolin-3-yl]benzoic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1(CC(=NO1)C2=CC=C(C=C2)C(=O)O)C)/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S/c1-14(27(24,25)17-6-4-3-5-7-17)12-20(2)13-18(21-26-20)15-8-10-16(11-9-15)19(22)23/h3-12H,13H2,1-2H3,(H,22,23)/b14-12+