(4-cyano-2-methoxy-phenyl) 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-(phenylmethylsulfanyl)ethanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid (4-cyano-2-methoxy-phenyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CSCC2=CC=CC=C2

InChI

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