[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)C

InChI

InChI=1S/C22H21NO3S2/c1-14-8-9-17(10-15(14)2)20(24)11-26-22(25)19-6-4-5-7-21(19)28-13-18-12-27-16(3)23-18/h4-10,12H,11,13H2,1-3H3