1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dichlorophenyl)methyl]pipecolinic acid Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18Cl2N2O2S/c21-12-8-9-13(14(22)11-12)18(24-10-4-3-6-16(24)20(25)26)19-23-15-5-1-2-7-17(15)27-19/h1-2,5,7-9,11,16,18H,3-4,6,10H2,(H,25,26)