2-methylpropyl 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate

Systemtic Name: 2-methylpropyl 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate Openeye Name: isobutyl 2-[(4-ethylsulfanyl-3-methyl-2-pyridyl)methylsulfinyl]benzimidazole-1-carboxylate CAS Name: 2-[[4-(ethylthio)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(4-ethylsulfanyl-3-methylpyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate Traditional Name: 2-[[4-(ethylthio)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazole-1-carboxylic acid isobutyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-5-28-19-10-11-22-17(15(19)4)13-29(26)20-23-16-8-6-7-9-18(16)24(20)21(25)27-12-14(2)3/h6-11,14H,5,12-13H2,1-4H3