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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-ethylphenyl)methyl]nipecotic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C22H24N2O2S/c1-2-15-9-11-16(12-10-15)20(24-13-5-6-17(14-24)22(25)26)21-23-18-7-3-4-8-19(18)27-21/h3-4,7-12,17,20H,2,5-6,13-14H2,1H3,(H,25,26)