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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)N=C(S4)N)C(=O)O

InChI

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