2-[2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[3-methyl-4-(2-morpholinoethylsulfanyl)-2-pyridyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[3-methyl-4-[2-(4-morpholinyl)ethylthio]-2-pyridinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[3-methyl-4-(2-morpholinoethylthio)-2-pyridyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2CC(=O)O)SCCN4CCOCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2CC(=O)O)SCCN4CCOCC4

InChI

InChI=1S/C22H26N4O3S2/c1-16-18(23-7-6-20(16)30-13-10-25-8-11-29-12-9-25)15-31-22-24-17-4-2-3-5-19(17)26(22)14-21(27)28/h2-7H,8-15H2,1H3,(H,27,28)