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

Systemtic Name: methyl 3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylic acid methyl ester Formula: C14H17N2O3S+ MolecularWeight: 293.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCC3

InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)9-4-5-11-10(8-9)15-12(17)13(20-11)16-6-2-3-7-16/h4-5,8,13H,2-3,6-7H2,1H3,(H,15,17)/p+1