(2-cyanophenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate

Systemtic Name: (2-cyanophenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate Openeye Name: (2-cyanophenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate CAS Name: 3-[(4-methoxyphenyl)thio]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate Traditional Name: 3-[(4-methoxyphenyl)thio]propionic acid (2-cyanobenzyl) ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)OCC2=CC=CC=C2C#N

InChI

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