[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C21H21N3O4S/c1-14(25)22-16-9-7-15(8-10-16)19(26)12-28-21(27)11-24-18-6-4-3-5-17(18)23-20(24)13-29-2/h3-10H,11-13H2,1-2H3,(H,22,25)