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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)Br)OCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)Br)OCC(=O)O

InChI

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