3-(2-azanyl-1,3-benzothiazol-5-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-(2-azanyl-1,3-benzothiazol-5-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid Openeye Name: 3-(2-amino-1,3-benzothiazol-5-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid CAS Name: 3-(2-amino-1,3-benzothiazol-5-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid IUPAC Name: 3-(2-amino-1,3-benzothiazol-5-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid Traditional Name: 3-(2-amino-1,3-benzothiazol-5-yl)-2-[4-(cyclopentylmethoxy)phenyl]propionic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)SC(=N4)N)C(=O)O

Isomeric SMILES

C1CCC(C1)COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)SC(=N4)N)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c23-22-24-19-12-15(5-10-20(19)28-22)11-18(21(25)26)16-6-8-17(9-7-16)27-13-14-3-1-2-4-14/h5-10,12,14,18H,1-4,11,13H2,(H2,23,24)(H,25,26)