[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]acetic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H22N2O4S/c1-15-4-5-17(12-16(15)2)20(25)13-28-21(26)14-29-22-23-10-11-24(22)18-6-8-19(27-3)9-7-18/h4-12H,13-14H2,1-3H3