(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C25H21BrN2O5S2 MolecularWeight: 573.47864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O5S2/c1-32-21-13-17(12-19(26)24(21)33-15-16-6-4-3-5-7-16)8-11-23(29)28-25-27-20-10-9-18(35(2,30)31)14-22(20)34-25/h3-14H,15H2,1-2H3,(H,27,28,29)/b11-8+