3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-cyclopentyloxy-5-fluoranyl-phenyl]propanoic acid

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-cyclopentyloxy-5-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentoxy)-5-fluoro-phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclopentyloxy-5-fluorophenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclopentyloxy-5-fluorophenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentoxy)-5-fluoro-phenyl]propionic acid Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N=C(S4)N)CCC(=O)O)F

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N=C(S4)N)CCC(=O)O)F

InChI

InChI=1S/C21H21FN2O3S/c22-16-10-12(5-8-19(25)26)9-15(20(16)27-14-3-1-2-4-14)13-6-7-17-18(11-13)28-21(23)24-17/h6-7,9-11,14H,1-5,8H2,(H2,23,24)(H,25,26)