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

Systemtic Name: 3-[3-(1,3-benzothiazol-6-yl)-4-cyclohexyloxy-phenyl]propanoic acid Openeye Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclohexoxy)phenyl]propanoic acid CAS Name: 3-[3-(1,3-benzothiazol-6-yl)-4-cyclohexyloxyphenyl]propanoic acid IUPAC Name: 3-[3-(1,3-benzothiazol-6-yl)-4-cyclohexyloxyphenyl]propanoic acid Traditional Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclohexoxy)phenyl]propionic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCC(CC1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H23NO3S/c24-22(25)11-7-15-6-10-20(26-17-4-2-1-3-5-17)18(12-15)16-8-9-19-21(13-16)27-14-23-19/h6,8-10,12-14,17H,1-5,7,11H2,(H,24,25)