2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(carboxymethyl)amino]acetic acid Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H22N4O4S2/c1-13-16(12-30-20-22-14-4-2-3-5-15(14)23-20)21-7-6-17(13)29-9-8-24(10-18(25)26)11-19(27)28/h2-7H,8-12H2,1H3,(H,22,23)(H,25,26)(H,27,28)