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

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclohexylmethoxy)phenyl]propionic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=C(S4)N

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=C(S4)N

InChI

InChI=1S/C23H26N2O3S/c24-23-25-19-9-8-17(13-21(19)29-23)18-12-15(7-11-22(26)27)6-10-20(18)28-14-16-4-2-1-3-5-16/h6,8-10,12-13,16H,1-5,7,11,14H2,(H2,24,25)(H,26,27)