(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C20H16N2O3S/c1-13-17(14(2)25-22-13)12-24-20(23)16-8-4-6-10-19(16)26-18-9-5-3-7-15(18)11-21/h3-10H,12H2,1-2H3