2-[2-[1-[1-(carboxymethyl)benzimidazol-2-yl]sulfanylethyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[1-[1-(carboxymethyl)benzimidazol-2-yl]sulfanylethyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[1-[1-(carboxymethyl)benzimidazol-2-yl]sulfanylethyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[1-[[1-(carboxymethyl)-2-benzimidazolyl]thio]ethyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[1-[1-(carboxymethyl)benzimidazol-2-yl]sulfanylethyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[1-[[1-(carboxymethyl)benzimidazol-2-yl]thio]ethyl]benzimidazol-1-yl]acetic acid Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1CC(=O)O)SC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1CC(=O)O)SC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C20H18N4O4S/c1-12(19-21-13-6-2-4-8-15(13)23(19)10-17(25)26)29-20-22-14-7-3-5-9-16(14)24(20)11-18(27)28/h2-9,12H,10-11H2,1H3,(H,25,26)(H,27,28)