[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H19FN2O6S MolecularWeight: 374.384563

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C15H19FN2O6S/c1-3-17-15(21)18-14(20)10(2)24-13(19)8-9-25(22,23)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,20,21)/t10-/m0/s1