1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid CAS Name: 1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)isonipecotic acid Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

InChI

InChI=1S/C17H18N4O2S/c22-17(23)12-3-7-21(8-4-12)10-11-1-2-14-13(9-11)20-15-16(24-14)19-6-5-18-15/h1-2,5-6,9,12H,3-4,7-8,10H2,(H,18,20)(H,22,23)