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

Systemtic Name: 3-methyl-2-[[4-[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[5-(4-methylsulfanylphenyl)isoxazol-3-yl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[5-[4-(methylthio)phenyl]-3-isoxazolyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[5-[4-(methylthio)phenyl]isoxazol-3-yl]phenyl]sulfonylamino]butyric acid Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-13(2)20(21(24)25)23-30(26,27)17-10-6-14(7-11-17)18-12-19(28-22-18)15-4-8-16(29-3)9-5-15/h4-13,20,23H,1-3H3,(H,24,25)