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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(1-oxobutylamino)phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(butanoylamino)phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-5-butyramido-phenoxy]acetic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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