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

Systemtic Name: (4-cyanophenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (4-cyanophenyl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (4-cyanobenzyl) ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S/c1-14-10-17(22-25-14)13-26-19-5-3-2-4-18(19)20(23)24-12-16-8-6-15(11-21)7-9-16/h2-10H,12-13H2,1H3