ethyl (E)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-[(benzylthio)methyl]-2,4-dimethyl-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1C)C)CSCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1C)C)CSCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C22H23NO2S/c1-4-25-22(24)20(13-23)11-19-12-21(17(3)10-16(19)2)15-26-14-18-8-6-5-7-9-18/h5-12H,4,14-15H2,1-3H3/b20-11+