[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

InChI=1S/C21H21NO5S2/c1-25-15-7-8-19(26-2)17(11-15)18(23)12-27-20(24)16-6-4-3-5-14(16)13-29-21-22-9-10-28-21/h3-8,11H,9-10,12-13H2,1-2H3