(E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-propoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-propoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-propoxyphenyl)prop-2-enamide CAS Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-propoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-propoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(2-propoxyphenyl)acrylamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O4S2/c1-3-12-26-17-7-5-4-6-14(17)8-11-19(23)22-20-21-16-10-9-15(28(2,24)25)13-18(16)27-20/h4-11,13H,3,12H2,1-2H3,(H,21,22,23)/b11-8+