(2-cyanophenyl)methyl (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: (2-cyanophenyl)methyl (E)-3-phenylsulfanylprop-2-enoate Openeye Name: (2-cyanophenyl)methyl (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid (2-cyanobenzyl) ester Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H13NO2S/c18-12-14-6-4-5-7-15(14)13-20-17(19)10-11-21-16-8-2-1-3-9-16/h1-11H,13H2/b11-10+