1-[1,3-benzothiazol-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]pipecolinic acid Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O)Br)OC

InChI

InChI=1S/C22H23BrN2O4S/c1-28-17-11-13(14(23)12-18(17)29-2)20(25-10-6-5-8-16(25)22(26)27)21-24-15-7-3-4-9-19(15)30-21/h3-4,7,9,11-12,16,20H,5-6,8,10H2,1-2H3,(H,26,27)