[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C)NC

InChI

InChI=1S/C15H17N3O5S2/c1-9-13(14(16-2)24-18-9)15(20)23-8-12(19)17-10-6-4-5-7-11(10)25(3,21)22/h4-7,16H,8H2,1-3H3,(H,17,19)