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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propanoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]propanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propionic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=C(ON=C2C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=C(ON=C2C)C

InChI

InChI=1S/C18H22N2O6S/c1-4-14-5-7-15(8-6-14)16(21)11-25-17(22)9-10-19-27(23,24)18-12(2)20-26-13(18)3/h5-8,19H,4,9-11H2,1-3H3