(4-cyano-2-methoxy-phenyl) 4-phenylsulfanylbutanoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-phenylsulfanylbutanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-phenylsulfanylbutanoate CAS Name: 4-(phenylthio)butanoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-phenylsulfanylbutanoate Traditional Name: 4-(phenylthio)butyric acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C18H17NO3S/c1-21-17-12-14(13-19)9-10-16(17)22-18(20)8-5-11-23-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3