methyl 2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: methyl 2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxylic acid methyl ester Formula: C14H17N2O4S+ MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCOCC3

InChI

InChI=1S/C14H16N2O4S/c1-19-14(18)9-2-3-11-10(8-9)15-12(17)13(21-11)16-4-6-20-7-5-16/h2-3,8,13H,4-7H2,1H3,(H,15,17)/p+1