1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid CAS Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)isonipecotic acid Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)O)Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)O)Br

InChI

InChI=1S/C15H17BrN2O3S/c1-2-21-12-8-13-11(7-10(12)16)17-15(22-13)18-5-3-9(4-6-18)14(19)20/h7-9H,2-6H2,1H3,(H,19,20)