(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-16-23(17(2)26(24-16)20-11-7-4-8-12-20)30-15-22(27)28-14-19-13-21(29-25-19)18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3