5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[3-(1H-benzimidazol-2-ylthio)propanoylamino]-2-chloro-benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c18-12-6-5-10(9-11(12)16(23)24)19-15(22)7-8-25-17-20-13-3-1-2-4-14(13)21-17/h1-6,9H,7-8H2,(H,19,22)(H,20,21)(H,23,24)