2-[5-chloranyl-2-oxidanylidene-3-(2-oxidanylidenepropyl)-1,3-benzothiazol-3-ium-3-yl]ethanamide

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-3-(2-oxidanylidenepropyl)-1,3-benzothiazol-3-ium-3-yl]ethanamide Openeye Name: 2-(3-acetonyl-5-chloro-2-oxo-1,3-benzothiazol-3-ium-3-yl)acetamide CAS Name: 2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide IUPAC Name: 2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide Traditional Name: 2-(3-acetonyl-5-chloro-2-keto-1,3-benzothiazol-3-ium-3-yl)acetamide Formula: C12H12ClN2O3S+ MolecularWeight: 299.75328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1(C2=C(C=CC(=C2)Cl)SC1=O)CC(=O)N

Isomeric SMILES

CC(=O)C[N+]1(C2=C(C=CC(=C2)Cl)SC1=O)CC(=O)N

InChI

InChI=1S/C12H11ClN2O3S/c1-7(16)5-15(6-11(14)17)9-4-8(13)2-3-10(9)19-12(15)18/h2-4H,5-6H2,1H3,(H-,14,17)/p+1