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

Systemtic Name: 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-cyclopentyloxy-phenyl]propanoic acid Openeye Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentoxy)phenyl]propanoic acid CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclopentyloxyphenyl]propanoic acid IUPAC Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-cyclopentyloxyphenyl]propanoic acid Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-(cyclopentoxy)phenyl]propionic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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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=C(S4)N

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=C(S4)N

InChI

InChI=1S/C21H22N2O3S/c22-21-23-17-8-7-14(12-19(17)27-21)16-11-13(6-10-20(24)25)5-9-18(16)26-15-3-1-2-4-15/h5,7-9,11-12,15H,1-4,6,10H2,(H2,22,23)(H,24,25)