[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [2-(4-ethylphenyl)thiazol-4-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(4-ethylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-ethylphenyl)thiazol-4-yl]methyl ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S2/c1-3-14-4-6-15(7-5-14)19-21-17(13-26-19)12-25-20(22)16-8-10-18(11-9-16)27(2,23)24/h4-11,13H,3,12H2,1-2H3