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

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C)C(=O)C

InChI

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