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

Systemtic Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid Openeye Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid CAS Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid IUPAC Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentylmethoxy)phenyl]propanoic acid Traditional Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentylmethoxy)phenyl]propionic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=CS4)C(=O)O

Isomeric SMILES

C1CCC(C1)COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=CS4)C(=O)O

InChI

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