5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-2-chloro-benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H12ClN3O3S/c17-11-6-5-9(7-10(11)15(22)23)18-14(21)8-24-16-19-12-3-1-2-4-13(12)20-16/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23)