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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(pentanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(pentanoylamino)phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(1-oxopentylamino)phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(pentanoylamino)phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(valerylamino)phenoxy]acetic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-2-3-8-18(23)21-13-9-10-14(16(11-13)26-12-19(24)25)20-22-15-6-4-5-7-17(15)27-20/h4-7,9-11H,2-3,8,12H2,1H3,(H,21,23)(H,24,25)