[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C22H25N3O3S/c1-15(2)16-8-4-5-9-17(16)24-21(26)13-28-22(27)12-25-19-11-7-6-10-18(19)23-20(25)14-29-3/h4-11,15H,12-14H2,1-3H3,(H,24,26)