3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-2-morpholin-4-yl-propanoic acid

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-2-morpholin-4-yl-propanoic acid Openeye Name: 3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]-2-morpholino-propanoic acid CAS Name: 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]-2-(4-morpholinyl)propanoic acid IUPAC Name: 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanyl-2-morpholin-4-ylpropanoic acid Traditional Name: 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]-2-morpholino-propionic acid Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCC(C(=O)O)N4CCOCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCC(C(=O)O)N4CCOCC4

InChI

InChI=1S/C21H24N4O3S2/c1-14-17(12-30-21-23-15-4-2-3-5-16(15)24-21)22-7-6-19(14)29-13-18(20(26)27)25-8-10-28-11-9-25/h2-7,18H,8-13H2,1H3,(H,23,24)(H,26,27)