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

Systemtic Name: (E)-3-(3-methoxy-4-pentoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3-methoxy-4-pentoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-pentoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-amoxy-3-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CCCCCOC1=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/C23H26N2O5S2/c1-4-5-6-13-30-19-11-7-16(14-20(19)29-2)8-12-22(26)25-23-24-18-10-9-17(32(3,27)28)15-21(18)31-23/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25,26)/b12-8+