4-oxidanyl-1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid

Systemtic Name: 4-oxidanyl-1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid Openeye Name: 4-hydroxy-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-hydroxy-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid Traditional Name: 4-hydroxy-1-[2-keto-2-(3-keto-4H-1,4-benzothiazin-6-yl)ethyl]isonipecotic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)O)CC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

C1CN(CCC1(C(=O)O)O)CC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C16H18N2O5S/c19-12(8-18-5-3-16(23,4-6-18)15(21)22)10-1-2-13-11(7-10)17-14(20)9-24-13/h1-2,7,23H,3-6,8-9H2,(H,17,20)(H,21,22)