1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-ethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-ethyl-1,3-benzothiazol-2-yl)isonipecotic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C15H18N2O2S/c1-2-10-3-4-12-13(9-10)20-15(16-12)17-7-5-11(6-8-17)14(18)19/h3-4,9,11H,2,5-8H2,1H3,(H,18,19)