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

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

CC(C1=CC(=C(C=C1)OC2CCCC2)C3=CC4=C(C=C3)SN=C4)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC2CCCC2)C3=CC4=C(C=C3)SN=C4)C(=O)O

InChI

InChI=1S/C21H21NO3S/c1-13(21(23)24)14-6-8-19(25-17-4-2-3-5-17)18(11-14)15-7-9-20-16(10-15)12-22-26-20/h6-13,17H,2-5H2,1H3,(H,23,24)