(E)-2-[(E)-3-ethoxy-1-oxidanyl-2-phenylsulfanyl-prop-2-enyl]-4,4-dimethyl-pent-2-enenitrile

Systemtic Name: (E)-2-[(E)-3-ethoxy-1-oxidanyl-2-phenylsulfanyl-prop-2-enyl]-4,4-dimethyl-pent-2-enenitrile Openeye Name: (E)-2-[(E)-3-ethoxy-1-hydroxy-2-phenylsulfanyl-allyl]-4,4-dimethyl-pent-2-enenitrile CAS Name: (E)-2-[(E)-3-ethoxy-1-hydroxy-2-(phenylthio)prop-2-enyl]-4,4-dimethyl-2-pentenenitrile IUPAC Name: (E)-2-[(E)-3-ethoxy-1-hydroxy-2-phenylsulfanylprop-2-enyl]-4,4-dimethylpent-2-enenitrile Traditional Name: (E)-2-[(E)-3-ethoxy-1-hydroxy-2-(phenylthio)allyl]-4,4-dimethyl-pent-2-enenitrile Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=C(C(C(=CC(C)(C)C)C#N)O)SC1=CC=CC=C1

Isomeric SMILES

CCO/C=C(\C(/C(=C/C(C)(C)C)/C#N)O)/SC1=CC=CC=C1

InChI

InChI=1S/C18H23NO2S/c1-5-21-13-16(22-15-9-7-6-8-10-15)17(20)14(12-19)11-18(2,3)4/h6-11,13,17,20H,5H2,1-4H3/b14-11+,16-13+