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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-ethoxy-3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-ethoxy-3-methoxy-phenyl)methyl]pipecolinic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C23H26N2O4S/c1-3-29-18-12-11-15(14-19(18)28-2)21(25-13-7-6-9-17(25)23(26)27)22-24-16-8-4-5-10-20(16)30-22/h4-5,8,10-12,14,17,21H,3,6-7,9,13H2,1-2H3,(H,26,27)