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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(propanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(propanoylamino)phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(1-oxopropylamino)phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(propanoylamino)phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-5-propionamido-phenoxy]acetic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-2-16(21)19-11-7-8-12(14(9-11)24-10-17(22)23)18-20-13-5-3-4-6-15(13)25-18/h3-9H,2,10H2,1H3,(H,19,21)(H,22,23)