2-(1,3-benzothiazol-2-yl)-4-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-ethoxy-benzoyl)amino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-ethoxybenzoyl)amino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-ethoxy-benzoyl)amino]phenolate Formula: C22H16BrN2O3S- MolecularWeight: 468.34304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-2-28-19-10-7-13(11-16(19)23)21(27)24-14-8-9-18(26)15(12-14)22-25-17-5-3-4-6-20(17)29-22/h3-12,26H,2H2,1H3,(H,24,27)/p-1