3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-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=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=C(S4)N

Isomeric SMILES

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=C(S4)N

InChI

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