(E)-3-(3-ethoxy-4-oxidanyl-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-oxidanyl-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-hydroxy-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-hydroxy-phenyl)-2-[3-(trifluoromethyl)benzyl]sulfonyl-acrylonitrile Formula: C19H16F3NO4S MolecularWeight: 411.39485

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C19H16F3NO4S/c1-2-27-18-10-13(6-7-17(18)24)9-16(11-23)28(25,26)12-14-4-3-5-15(8-14)19(20,21)22/h3-10,24H,2,12H2,1H3/b16-9+