[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O3S/c1-29-14-21-24-18-4-2-3-5-19(18)25(21)12-22(27)28-13-20(26)23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,15-17H,6-14H2,1H3