[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16FN3O6S MolecularWeight: 361.346043

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)F

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O6S/c1-3-16-13(20)17-11(18)7(2)23-12(19)9-6-8(24(15,21)22)4-5-10(9)14/h4-7H,3H2,1-2H3,(H2,15,21,22)(H2,16,17,18,20)/t7-/m0/s1