1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]benzimidazole-2,5-dicarboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

InChI

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