(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-propargyloxy-phenyl)-2-tosyl-acrylonitrile Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S/c1-4-12-26-20-11-8-17(14-21(20)25-5-2)13-19(15-22)27(23,24)18-9-6-16(3)7-10-18/h1,6-11,13-14H,5,12H2,2-3H3/b19-13+