5-(5-chloranylthiophen-2-yl)-1-(1,2-oxazol-3-ylmethyl)benzimidazole-2,4-dicarboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-1-(1,2-oxazol-3-ylmethyl)benzimidazole-2,4-dicarboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-1-(isoxazol-3-ylmethyl)benzimidazole-2,4-dicarboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-1-(3-isoxazolylmethyl)benzimidazole-2,4-dicarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-1-(1,2-oxazol-3-ylmethyl)benzimidazole-2,4-dicarboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-1-(isoxazol-3-ylmethyl)benzimidazole-2,4-dicarboxylic acid Formula: C17H10ClN3O5S MolecularWeight: 403.7964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1C3=CC=C(S3)Cl)C(=O)O)N=C(N2CC4=NOC=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1C3=CC=C(S3)Cl)C(=O)O)N=C(N2CC4=NOC=C4)C(=O)O

InChI

InChI=1S/C17H10ClN3O5S/c18-12-4-3-11(27-12)9-1-2-10-14(13(9)16(22)23)19-15(17(24)25)21(10)7-8-5-6-26-20-8/h1-6H,7H2,(H,22,23)(H,24,25)