(E)-3-(5-bromanyl-2-ethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-ethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C19H17BrN2O4S2 MolecularWeight: 481.38328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H17BrN2O4S2/c1-3-26-16-8-5-13(20)10-12(16)4-9-18(23)22-19-21-15-7-6-14(28(2,24)25)11-17(15)27-19/h4-11H,3H2,1-2H3,(H,21,22,23)/b9-4+