2-[2-(1,3-benzothiazol-2-yl)-5-(hexanoylamino)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(hexanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(hexanoylamino)phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(1-oxohexylamino)phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(hexanoylamino)phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(caproylamino)phenoxy]acetic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)OCC(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)OCC(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-2-3-4-9-19(24)22-14-10-11-15(17(12-14)27-13-20(25)26)21-23-16-7-5-6-8-18(16)28-21/h5-8,10-12H,2-4,9,13H2,1H3,(H,22,24)(H,25,26)