(E)-N-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)indol-3-yl]acrylamide Formula: C21H16N4OS MolecularWeight: 372.44294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N4OS/c22-12-5-13-25-14-15(16-6-1-3-8-18(16)25)10-11-20(26)24-21-23-17-7-2-4-9-19(17)27-21/h1-4,6-11,14H,5,13H2,(H,23,24,26)/b11-10+