2-[[4-[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 2-[[4-[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]phenyl]sulfonylamino]propanoic acid Openeye Name: 2-[[4-[5-(4-methylsulfanylphenyl)isoxazol-3-yl]phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[4-[5-[4-(methylthio)phenyl]-3-isoxazolyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[4-[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]phenyl]sulfonylamino]propanoic acid Traditional Name: 2-[[4-[5-[4-(methylthio)phenyl]isoxazol-3-yl]phenyl]sulfonylamino]propionic acid Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H18N2O5S2/c1-12(19(22)23)21-28(24,25)16-9-5-13(6-10-16)17-11-18(26-20-17)14-3-7-15(27-2)8-4-14/h3-12,21H,1-2H3,(H,22,23)