(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C20H18N2O6S2 MolecularWeight: 446.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H18N2O6S2/c1-26-15-9-12(10-16-19(15)28-8-7-27-16)3-6-18(23)22-20-21-14-5-4-13(30(2,24)25)11-17(14)29-20/h3-6,9-11H,7-8H2,1-2H3,(H,21,22,23)/b6-3+