(2-cyanophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: (2-cyanophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid (2-cyanobenzyl) ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C16H16N2O3S/c1-11-15(12(2)21-18-11)9-22-10-16(19)20-8-14-6-4-3-5-13(14)7-17/h3-6H,8-10H2,1-2H3