1-[2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]ethyl ethanoate

Systemtic Name: 1-[2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]ethyl ethanoate Openeye Name: 1-[2-[(4-ethylsulfanyl-3-methyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]ethyl acetate CAS Name: acetic acid 1-[2-[[4-(ethylthio)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolyl]ethyl ester IUPAC Name: 1-[2-[(4-ethylsulfanyl-3-methylpyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]ethyl acetate Traditional Name: acetic acid 1-[2-[[4-(ethylthio)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2C(C)OC(=O)C)C

Isomeric SMILES

CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2C(C)OC(=O)C)C

InChI

InChI=1S/C20H23N3O3S2/c1-5-27-19-10-11-21-17(13(19)2)12-28(25)20-22-16-8-6-7-9-18(16)23(20)14(3)26-15(4)24/h6-11,14H,5,12H2,1-4H3