[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-ethylphenyl)thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(4-ethylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(4-ethylphenyl)thiazol-4-yl]methyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H21NO4S2/c1-4-15-6-8-16(9-7-15)20-22-17(13-27-20)12-26-21(23)19-11-18(28(3,24)25)10-5-14(19)2/h5-11,13H,4,12H2,1-3H3