(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C21H19N3O3S/c1-3-14-4-7-16-19(13-14)28-21(23-16)24-20(25)9-6-15-5-8-17(27-11-10-22)18(12-15)26-2/h4-9,12-13H,3,11H2,1-2H3,(H,23,24,25)/b9-6+