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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(2-methylphenyl)carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[[(2-methylphenyl)-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-[(2-methylbenzoyl)amino]phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-5-(o-toluoylamino)phenoxy]acetic acid Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OCC(=O)O

InChI

InChI=1S/C23H18N2O4S/c1-14-6-2-3-7-16(14)22(28)24-15-10-11-17(19(12-15)29-13-21(26)27)23-25-18-8-4-5-9-20(18)30-23/h2-12H,13H2,1H3,(H,24,28)(H,26,27)