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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-28-15-19-23-17-9-5-6-10-18(17)24(19)13-21(26)27-14-20(25)22-12-11-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,25)