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

Systemtic Name: 3-[3-(1,3-benzothiazol-6-yl)-4-cyclopentyloxy-phenyl]propanoic acid Openeye Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentoxy)phenyl]propanoic acid CAS Name: 3-[3-(1,3-benzothiazol-6-yl)-4-cyclopentyloxyphenyl]propanoic acid IUPAC Name: 3-[3-(1,3-benzothiazol-6-yl)-4-cyclopentyloxyphenyl]propanoic acid Traditional Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(cyclopentoxy)phenyl]propionic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H21NO3S/c23-21(24)10-6-14-5-9-19(25-16-3-1-2-4-16)17(11-14)15-7-8-18-20(12-15)26-13-22-18/h5,7-9,11-13,16H,1-4,6,10H2,(H,23,24)