[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=C(C=C2)C3=NOC(=N3)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=C(C=C2)C3=NOC(=N3)C

InChI

InChI=1S/C14H13N3O5S/c1-8-13(9(2)20-16-8)23(18,19)22-12-6-4-11(5-7-12)14-15-10(3)21-17-14/h4-7H,1-3H3