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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Openeye Name: [2-(3,4-dimethylanilino)thiazol-4-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(3,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(3,4-dimethylanilino)thiazol-4-yl]methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H20N2O4S2/c1-13-4-7-16(10-14(13)2)21-20-22-17(12-27-20)11-26-19(23)15-5-8-18(9-6-15)28(3,24)25/h4-10,12H,11H2,1-3H3,(H,21,22)