(5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-14(24)15-8-9-19(26-2)16(10-15)12-27-21(25)11-23-18-7-5-4-6-17(18)22-20(23)13-28-3/h4-10H,11-13H2,1-3H3