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

Systemtic Name: 3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c16-11-12(15-5-1-2-6-15)19-10-4-3-8(13(17)18)7-9(10)14-11/h3-4,7,12H,1-2,5-6H2,(H,14,16)(H,17,18)