2-[4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-(5-esyl-1,3-benzoxazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C20H18N2O5S/c1-3-28(23,24)15-6-8-17-16(13-15)22-20(27-17)9-5-14-4-7-18(26-11-10-21)19(12-14)25-2/h4-9,12-13H,3,11H2,1-2H3/b9-5+