3-[3-(1,2-benzothiazol-5-yl)-4-cyclopentyloxy-phenyl]propanoic acid

Systemtic Name: 3-[3-(1,2-benzothiazol-5-yl)-4-cyclopentyloxy-phenyl]propanoic acid Openeye Name: 3-[3-(1,2-benzothiazol-5-yl)-4-(cyclopentoxy)phenyl]propanoic acid CAS Name: 3-[3-(1,2-benzothiazol-5-yl)-4-cyclopentyloxyphenyl]propanoic acid IUPAC Name: 3-[3-(1,2-benzothiazol-5-yl)-4-cyclopentyloxyphenyl]propanoic acid Traditional Name: 3-[3-(1,2-benzothiazol-5-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)SN=C4

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)SN=C4

InChI

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