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

Systemtic Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(2-ethylbenzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(2-ethyl-3-benzofuranyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(2-ethylbenzofuran-3-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H18N2O4S2/c1-3-17-15(14-6-4-5-7-18(14)27-17)9-11-20(24)23-21-22-16-10-8-13(29(2,25)26)12-19(16)28-21/h4-12H,3H2,1-2H3,(H,22,23,24)/b11-9+