2-[4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C20H18N2O2S/c1-13-10-16-19(11-14(13)2)25-20(22-16)7-5-15-4-6-17(24-9-8-21)18(12-15)23-3/h4-7,10-12H,9H2,1-3H3/b7-5+