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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H23NO3S/c24-22(25)10-6-15-5-9-20(26-13-16-3-1-2-4-16)18(11-15)17-7-8-19-21(12-17)27-14-23-19/h5,7-9,11-12,14,16H,1-4,6,10,13H2,(H,24,25)