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

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

Isomeric SMILES

C1CCC(CC1)OC2=C(C=C(C=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O)F

InChI

InChI=1S/C22H23FN2O3S/c23-17-12-14(7-9-19(17)28-15-4-2-1-3-5-15)16(21(26)27)10-13-6-8-18-20(11-13)29-22(24)25-18/h6-9,11-12,15-16H,1-5,10H2,(H2,24,25)(H,26,27)