3-(4H-1,2-benzothiazin-8-yl)-2,3-dimethyl-4-oxidanylidene-2-piperidin-4-yl-pentanoic acid

Systemtic Name: 3-(4H-1,2-benzothiazin-8-yl)-2,3-dimethyl-4-oxidanylidene-2-piperidin-4-yl-pentanoic acid Openeye Name: 3-(4H-1,2-benzothiazin-8-yl)-2,3-dimethyl-4-oxo-2-(4-piperidyl)pentanoic acid CAS Name: 3-(4H-1,2-benzothiazin-8-yl)-2,3-dimethyl-4-oxo-2-(4-piperidinyl)pentanoic acid IUPAC Name: 3-(4H-1,2-benzothiazin-8-yl)-2,3-dimethyl-4-oxo-2-piperidin-4-ylpentanoic acid Traditional Name: 3-(4H-1,2-benzothiazin-8-yl)-4-keto-2,3-dimethyl-2-(4-piperidyl)valeric acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C1=CC=CC2=C1SN=CC2)C(C)(C3CCNCC3)C(=O)O

Isomeric SMILES

CC(=O)C(C)(C1=CC=CC2=C1SN=CC2)C(C)(C3CCNCC3)C(=O)O

InChI

InChI=1S/C20H26N2O3S/c1-13(23)19(2,16-6-4-5-14-7-12-22-26-17(14)16)20(3,18(24)25)15-8-10-21-11-9-15/h4-6,12,15,21H,7-11H2,1-3H3,(H,24,25)