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

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]ethanoic acid Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethylamino]acetic acid CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethylamino]acetic acid IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethylamino]acetic acid Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethylamino]acetic acid Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S2/c1-12-15(11-26-18-21-13-4-2-3-5-14(13)22-18)20-7-6-16(12)25-9-8-19-10-17(23)24/h2-7,19H,8-11H2,1H3,(H,21,22)(H,23,24)