[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5S/c1-28-11-19-21-14-4-2-3-5-15(14)22(19)9-20(24)25-10-16(23)13-6-7-17-18(8-13)27-12-26-17/h2-8H,9-12H2,1H3