[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

InChI

InChI=1S/C21H19NO4S/c1-14-6-7-15(2)19(8-14)20(23)11-26-21(24)16-4-3-5-18(9-16)25-10-17-12-27-13-22-17/h3-9,12-13H,10-11H2,1-2H3