(E)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H19N3O6S2/c1-28-16-8-12(9-17(29-2)19(16)30-3)7-13(11-22)20(25)24-21-23-15-6-5-14(32(4,26)27)10-18(15)31-21/h5-10H,1-4H3,(H,23,24,25)/b13-7+