3-(2-azanyl-1,3-benzothiazol-6-yl)-2-(4-cyclohexyloxyphenyl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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