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

Systemtic Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H24N2O5S2/c1-14(2)13-29-18-9-5-15(11-19(18)28-3)6-10-21(25)24-22-23-17-8-7-16(31(4,26)27)12-20(17)30-22/h5-12,14H,13H2,1-4H3,(H,23,24,25)/b10-6+