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

Systemtic Name: phenacyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: phenacyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid phenacyl ester Formula: C20H17NO4S MolecularWeight: 367.41828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO4S/c1-14-11-16(21-25-14)13-26-19-10-6-5-9-17(19)20(23)24-12-18(22)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3