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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C)C

InChI

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