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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,3,4-trimethoxyphenyl)methyl]pipecolinic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-28-17-12-11-14(20(29-2)21(17)30-3)19(25-13-7-6-9-16(25)23(26)27)22-24-15-8-4-5-10-18(15)31-22/h4-5,8,10-12,16,19H,6-7,9,13H2,1-3H3,(H,26,27)