[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)OC

InChI

InChI=1S/C21H19NO5S2/c1-25-15-7-8-16(19(9-15)26-2)18(23)10-27-21(24)17-5-3-4-6-20(17)29-12-14-11-28-13-22-14/h3-9,11,13H,10,12H2,1-2H3