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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)OC1=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/C21H22N2O5S2/c1-13(2)28-17-9-5-14(11-18(17)27-3)6-10-20(24)23-21-22-16-8-7-15(30(4,25)26)12-19(16)29-21/h5-13H,1-4H3,(H,22,23,24)/b10-6+