(E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloranyl-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloranyl-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)acrylonitrile Formula: C18H11ClN2O2S MolecularWeight: 354.81014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)Cl)C=C(C#N)C3=NC4=CC=CC=C4S3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)OCO1

InChI

InChI=1S/C18H11ClN2O2S/c19-14-6-11(17-13(7-14)9-22-10-23-17)5-12(8-20)18-21-15-3-1-2-4-16(15)24-18/h1-7H,9-10H2/b12-5+