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

Systemtic Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C20H17N3O5S2 MolecularWeight: 443.49608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S2/c1-27-16-7-4-12(9-17(16)28-2)8-13(11-21)19(24)23-20-22-15-6-5-14(30(3,25)26)10-18(15)29-20/h4-10H,1-3H3,(H,22,23,24)/b13-8+