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

Systemtic Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C18H14N2O2S/c1-21-16-12-13(6-8-15(16)22-11-10-19)7-9-18-20-14-4-2-3-5-17(14)23-18/h2-9,12H,11H2,1H3/b9-7+