methyl 2-[6-(phenylsulfonylsulfanyl)-1H-benzimidazol-2-yl]ethanoate

Systemtic Name: methyl 2-[6-(phenylsulfonylsulfanyl)-1H-benzimidazol-2-yl]ethanoate Openeye Name: methyl 2-[6-(benzenesulfonylsulfanyl)-1H-benzimidazol-2-yl]acetate CAS Name: 2-[6-(benzenesulfonylthio)-1H-benzimidazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(benzenesulfonylsulfanyl)-1H-benzimidazol-2-yl]acetate Traditional Name: 2-[6-(besylthio)-1H-benzimidazol-2-yl]acetic acid methyl ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NC2=C(N1)C=C(C=C2)SS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=NC2=C(N1)C=C(C=C2)SS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O4S2/c1-22-16(19)10-15-17-13-8-7-11(9-14(13)18-15)23-24(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)