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

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C21H19FN2O5S2 MolecularWeight: 462.514363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

InChI

InChI=1S/C21H19FN2O5S2/c1-13-8-9-16(31(3,27)28)10-17(13)20(26)29-11-15-12-30-21(23-15)24(14(2)25)19-7-5-4-6-18(19)22/h4-10,12H,11H2,1-3H3