ethyl 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(p-tolylsulfonyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-2-benzimidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-tosylbenzimidazol-2-yl)thio]acetic acid ethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N2O4S2/c1-3-24-17(21)12-25-18-19-15-6-4-5-7-16(15)20(18)26(22,23)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3