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

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S2/c1-14-7-3-5-9-17(14)23-19(24)11-20-22-15(13-29-20)12-28-21(25)16-8-4-6-10-18(16)30(2,26)27/h3-10,13H,11-12H2,1-2H3,(H,23,24)