(3-cyanophenyl)methyl 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: (3-cyanophenyl)methyl 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid (3-cyanobenzyl) ester Formula: C20H15NO3S MolecularWeight: 349.403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)SCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)SCC3=CC=CO3

InChI

InChI=1S/C20H15NO3S/c21-12-15-5-3-6-16(11-15)13-24-20(22)18-8-1-2-9-19(18)25-14-17-7-4-10-23-17/h1-11H,13-14H2