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

Systemtic Name: 4-methyl-1-[2-(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid Openeye Name: 4-methyl-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid CAS Name: 4-methyl-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-methyl-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-keto-4H-1,4-benzothiazin-6-yl)ethyl]-4-methyl-isonipecotic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)CCC2=CC3=C(C=C2)SCC(=O)N3)C(=O)O

Isomeric SMILES

CC1(CCN(CC1)CCC2=CC3=C(C=C2)SCC(=O)N3)C(=O)O

InChI

InChI=1S/C17H22N2O3S/c1-17(16(21)22)5-8-19(9-6-17)7-4-12-2-3-14-13(10-12)18-15(20)11-23-14/h2-3,10H,4-9,11H2,1H3,(H,18,20)(H,21,22)