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

Systemtic Name: 3-(2-azanyl-1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxy-3-fluoranyl-phenyl)propanoic acid Openeye Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-[4-(cyclopentoxy)-3-fluoro-phenyl]propanoic acid CAS Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxy-3-fluorophenyl)propanoic acid IUPAC Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxy-3-fluorophenyl)propanoic acid Traditional Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-[4-(cyclopentoxy)-3-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=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O)F

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O)F

InChI

InChI=1S/C21H21FN2O3S/c22-16-11-13(6-8-18(16)27-14-3-1-2-4-14)15(20(25)26)9-12-5-7-17-19(10-12)28-21(23)24-17/h5-8,10-11,14-15H,1-4,9H2,(H2,23,24)(H,25,26)