[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)CC#N

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)CC#N

InChI

InChI=1S/C15H18N2O5S/c1-3-17-14(18)11(2)22-15(19)13-6-4-12(5-7-13)10-23(20,21)9-8-16/h4-7,11H,3,9-10H2,1-2H3,(H,17,18)/t11-/m0/s1