(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylonitrile Formula: C19H13N3O2S MolecularWeight: 347.39042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O2S/c1-23-17-11-13(6-7-16(17)24-9-8-20)10-14(12-21)19-22-15-4-2-3-5-18(15)25-19/h2-7,10-11H,9H2,1H3/b14-10+