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

Systemtic Name: (4-cyanophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: (4-cyanophenyl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid (4-cyanobenzyl) ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N2O3S/c1-14-19(15(2)26-23-14)13-27-20-6-4-3-5-18(20)21(24)25-12-17-9-7-16(11-22)8-10-17/h3-10H,12-13H2,1-2H3