2-[[2-[(2-carboxyphenyl)methylsulfanyl]benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)methylsulfanyl]benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[2-[(2-carboxyphenyl)methylsulfanyl]benzimidazol-1-yl]methyl]benzoic acid CAS Name: 2-[[2-[(2-carboxyphenyl)methylthio]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(2-carboxyphenyl)methylsulfanyl]benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[2-[(2-carboxybenzyl)thio]benzimidazol-1-yl]methyl]benzoic acid Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C23H18N2O4S/c26-21(27)17-9-3-1-7-15(17)13-25-20-12-6-5-11-19(20)24-23(25)30-14-16-8-2-4-10-18(16)22(28)29/h1-12H,13-14H2,(H,26,27)(H,28,29)