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

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-cyclohexyloxy-5-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexoxy)-5-fluoro-phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclohexyloxy-5-fluorophenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclohexyloxy-5-fluorophenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexoxy)-5-fluoro-phenyl]propionic acid Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N=C(S4)N)CCC(=O)O)F

Isomeric SMILES

C1CCC(CC1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N=C(S4)N)CCC(=O)O)F

InChI

InChI=1S/C22H23FN2O3S/c23-17-11-13(6-9-20(26)27)10-16(21(17)28-15-4-2-1-3-5-15)14-7-8-18-19(12-14)29-22(24)25-18/h7-8,10-12,15H,1-6,9H2,(H2,24,25)(H,26,27)