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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O

InChI

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