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

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acrylamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)SC)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(S3)SC)OCC#N

InChI

InChI=1S/C20H17N3O3S2/c1-25-17-11-13(3-7-16(17)26-10-9-21)4-8-19(24)22-14-5-6-15-18(12-14)28-20(23-15)27-2/h3-8,11-12H,10H2,1-2H3,(H,22,24)/b8-4+