(2-cyanophenyl)methyl 3-(methylsulfinylmethyl)benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-(methylsulfinylmethyl)benzoate Openeye Name: (2-cyanophenyl)methyl 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (2-cyanobenzyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H15NO3S/c1-22(20)12-13-5-4-8-14(9-13)17(19)21-11-16-7-3-2-6-15(16)10-18/h2-9H,11-12H2,1H3