(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acrylamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H18N4OS/c1-15-6-4-9-19-21(15)25-22(28-19)24-20(27)11-10-16-14-26(13-5-12-23)18-8-3-2-7-17(16)18/h2-4,6-11,14H,5,13H2,1H3,(H,24,25,27)/b11-10+