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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(2-methylpropanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(2-methylpropanoylamino)phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(2-methyl-1-oxopropyl)amino]phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(2-methylpropanoylamino)phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(isobutyrylamino)phenoxy]acetic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-11(2)18(24)20-12-7-8-13(15(9-12)25-10-17(22)23)19-21-14-5-3-4-6-16(14)26-19/h3-9,11H,10H2,1-2H3,(H,20,24)(H,22,23)