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

Systemtic Name: [2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C

InChI

InChI=1S/C22H22N2O5S2/c1-4-16-7-5-6-8-20(16)24(15(2)25)22-23-18(14-30-22)13-29-21(26)17-9-11-19(12-10-17)31(3,27)28/h5-12,14H,4,13H2,1-3H3