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

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C16H18N2O6S/c1-4-13-15(10(2)24-18-13)16(20)23-9-14(19)17-11-6-5-7-12(8-11)25(3,21)22/h5-8H,4,9H2,1-3H3,(H,17,19)