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

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acrylamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C20H17N3O3S/c1-13-4-3-5-17-19(13)23-20(27-17)22-18(24)9-7-14-6-8-15(26-11-10-21)16(12-14)25-2/h3-9,12H,11H2,1-2H3,(H,22,23,24)/b9-7+