[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CSC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CSC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C15H21NO3S/c1-5-16-15(18)12(4)19-14(17)9-20-13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,18)/t12-/m0/s1