4-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]butanoic acid

Systemtic Name: 4-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]butanoic acid Openeye Name: 4-[5-(4-methylsulfonylphenyl)-4-phenyl-oxazol-2-yl]butanoic acid CAS Name: 4-[5-(4-methylsulfonylphenyl)-4-phenyl-2-oxazolyl]butanoic acid IUPAC Name: 4-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]butanoic acid Traditional Name: 4-[5-(4-mesylphenyl)-4-phenyl-oxazol-2-yl]butyric acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=C(O2)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=C(O2)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S/c1-27(24,25)16-12-10-15(11-13-16)20-19(14-6-3-2-4-7-14)21-17(26-20)8-5-9-18(22)23/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,23)