2-[2-(1,3-benzothiazol-2-yl)-4-[(2-bromophenyl)carbonylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-4-[(2-bromophenyl)carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-4-[(2-bromobenzoyl)amino]phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-4-[[(2-bromophenyl)-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-4-[(2-bromobenzoyl)amino]phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-4-[(2-bromobenzoyl)amino]phenoxy]acetic acid Formula: C22H15BrN2O4S MolecularWeight: 483.3345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)OCC(=O)O)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)OCC(=O)O)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C22H15BrN2O4S/c23-16-6-2-1-5-14(16)21(28)24-13-9-10-18(29-12-20(26)27)15(11-13)22-25-17-7-3-4-8-19(17)30-22/h1-11H,12H2,(H,24,28)(H,26,27)