2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxidanylidene-1,3-benzothiazin-3-ium-2-yl)ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxidanylidene-1,3-benzothiazin-3-ium-2-yl)ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-benzothiazin-3-ium-2-yl)acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-oxo-1,3-benzothiazin-3-ium-2-yl)acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-benzothiazin-3-ium-2-yl)acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(4-keto-1,3-benzothiazin-3-ium-2-yl)acetamide Formula: C16H15N4O2S2+ MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=[NH+]C(=O)C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=[NH+]C(=O)C3=CC=CC=C3S2)C

InChI

InChI=1S/C16H14N4O2S2/c1-9-7-10(2)18-15(17-9)23-8-13(21)19-16-20-14(22)11-5-3-4-6-12(11)24-16/h3-7H,8H2,1-2H3,(H,19,20,21,22)/p+1