(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-2-cyano-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OCC=C

InChI

InChI=1S/C22H19N3O5S2/c1-4-9-30-18-8-5-14(11-19(18)29-2)10-15(13-23)21(26)25-22-24-17-7-6-16(32(3,27)28)12-20(17)31-22/h4-8,10-12H,1,9H2,2-3H3,(H,24,25,26)/b15-10+