(4-cyanophenyl)methyl 2-(oxolan-2-ylmethylsulfanyl)benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: (4-cyanophenyl)methyl 2-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 2-(2-oxolanylmethylthio)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(tetrahydrofurfurylthio)benzoic acid (4-cyanobenzyl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(OC1)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19NO3S/c21-12-15-7-9-16(10-8-15)13-24-20(22)18-5-1-2-6-19(18)25-14-17-4-3-11-23-17/h1-2,5-10,17H,3-4,11,13-14H2