(4-cyanophenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-cyanophenyl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-cyanobenzyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H15NO3S/c1-20-16-9-14(22-2)7-8-15(16)17(19)21-11-13-5-3-12(10-18)4-6-13/h3-9H,11H2,1-2H3