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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1CC3=NOC=C3)C(=O)O)N=C(N2C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1CC3=NOC=C3)C(=O)O)N=C(N2C4=CC=C(S4)Cl)C(=O)O

InChI

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