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

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-14-5-4-6-18(11-14)23(15(2)24)21-22-17(13-29-21)12-28-20(25)16-7-9-19(10-8-16)30(3,26)27/h4-11,13H,12H2,1-3H3