[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC)OC

InChI

InChI=1S/C21H22N2O5S/c1-26-18-9-8-14(10-19(18)27-2)17(24)12-28-21(25)11-23-16-7-5-4-6-15(16)22-20(23)13-29-3/h4-10H,11-13H2,1-3H3