3-acetamido-2-(1H-benzimidazol-2-ylsulfanyl)-4-chloranyl-benzoic acid

Systemtic Name: 3-acetamido-2-(1H-benzimidazol-2-ylsulfanyl)-4-chloranyl-benzoic acid Openeye Name: 3-acetamido-2-(1H-benzimidazol-2-ylsulfanyl)-4-chloro-benzoic acid CAS Name: 3-acetamido-2-(1H-benzimidazol-2-ylthio)-4-chlorobenzoic acid IUPAC Name: 3-acetamido-2-(1H-benzimidazol-2-ylsulfanyl)-4-chlorobenzoic acid Traditional Name: 3-acetamido-2-(1H-benzimidazol-2-ylthio)-4-chloro-benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1SC2=NC3=CC=CC=C3N2)C(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1SC2=NC3=CC=CC=C3N2)C(=O)O)Cl

InChI

InChI=1S/C16H12ClN3O3S/c1-8(21)18-13-10(17)7-6-9(15(22)23)14(13)24-16-19-11-4-2-3-5-12(11)20-16/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23)