(E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)acrylonitrile Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S/c1-22-15-9-8-12(17(23-2)18(15)24-3)10-13(11-20)19-21-14-6-4-5-7-16(14)25-19/h4-10H,1-3H3/b13-10+