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

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-cyclohexyloxy-phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexoxy)phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclohexyloxyphenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclohexyloxyphenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexoxy)phenyl]propionic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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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=C(S4)N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c23-22-24-18-9-8-15(13-20(18)28-22)17-12-14(7-11-21(25)26)6-10-19(17)27-16-4-2-1-3-5-16/h6,8-10,12-13,16H,1-5,7,11H2,(H2,23,24)(H,25,26)