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

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-2-(dimethylamino)propanoate Openeye Name: ethyl 3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]-2-(dimethylamino)propanoate CAS Name: 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]-2-(dimethylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanyl-2-(dimethylamino)propanoate Traditional Name: 3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]-2-(dimethylamino)propionic acid ethyl ester Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S2/c1-5-27-20(26)18(25(3)4)13-28-19-10-11-22-17(14(19)2)12-29-21-23-15-8-6-7-9-16(15)24-21/h6-11,18H,5,12-13H2,1-4H3,(H,23,24)