3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)but-2-enamide

Systemtic Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)but-2-enamide Openeye Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)but-2-enamide CAS Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-butenamide IUPAC Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)but-2-enamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-but-2-enamide Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C13H14N2O3S2/c1-8(2)6-12(16)15-13-14-10-5-4-9(20(3,17)18)7-11(10)19-13/h4-7H,1-3H3,(H,14,15,16)