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

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acrylamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C21H19N3O4S/c1-3-27-15-6-7-16-19(13-15)29-21(23-16)24-20(25)9-5-14-4-8-17(28-11-10-22)18(12-14)26-2/h4-9,12-13H,3,11H2,1-2H3,(H,23,24,25)/b9-5+