4-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-chlorophenyl)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-chlorophenyl)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid Formula: C21H13ClN2O3S MolecularWeight: 408.85752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C21H13ClN2O3S/c22-15-6-1-12(2-7-15)20-24-17-10-5-14(11-18(17)28-20)19(25)23-16-8-3-13(4-9-16)21(26)27/h1-11H,(H,23,25)(H,26,27)