[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H20N2O6S/c1-11-15(12(2)25-19-11)7-8-17(21)24-10-16(20)18-13-5-4-6-14(9-13)26(3,22)23/h4-6,9H,7-8,10H2,1-3H3,(H,18,20)