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

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-2-morpholin-4-yl-propanoate Openeye Name: ethyl 3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]-2-morpholino-propanoate CAS Name: 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]-2-(4-morpholinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanyl-2-morpholin-4-ylpropanoate Traditional Name: 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]-2-morpholino-propionic acid ethyl ester Formula: C23H28N4O3S2 MolecularWeight: 472.62342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)N4CCOCC4

Isomeric SMILES

CCOC(=O)C(CSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)N4CCOCC4

InChI

InChI=1S/C23H28N4O3S2/c1-3-30-22(28)20(27-10-12-29-13-11-27)15-31-21-8-9-24-19(16(21)2)14-32-23-25-17-6-4-5-7-18(17)26-23/h4-9,20H,3,10-15H2,1-2H3,(H,25,26)