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

Systemtic Name: (E)-3-(3-methoxy-4-phenylmethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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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)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)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S2/c1-31-22-14-17(8-12-21(22)32-16-18-6-4-3-5-7-18)9-13-24(28)27-25-26-20-11-10-19(34(2,29)30)15-23(20)33-25/h3-15H,16H2,1-2H3,(H,26,27,28)/b13-9+