N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-ethanoylsulfonyl-ethanamide

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-ethanoylsulfonyl-ethanamide Openeye Name: 2-acetylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-acetylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-acetylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-acetylsulfonyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C(=O)C)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C(=O)C)S2)C

InChI

InChI=1S/C13H14N2O4S2/c1-8-4-5-10-11(6-8)20-13(15(10)3)14-12(17)7-21(18,19)9(2)16/h4-6H,7H2,1-3H3