3-(1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxyphenyl)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxyphenyl)propanoic acid Openeye Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentoxy)phenyl]propanoic acid CAS Name: 3-(1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxyphenyl)propanoic acid IUPAC Name: 3-(1,3-benzothiazol-6-yl)-2-(4-cyclopentyloxyphenyl)propanoic acid Traditional Name: 3-(1,3-benzothiazol-6-yl)-2-[4-(cyclopentoxy)phenyl]propionic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=CS4)C(=O)O

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=CS4)C(=O)O

InChI

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