[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCSC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C16H23NO3S/c1-5-17-16(19)13(4)20-15(18)8-9-21-14-7-6-11(2)12(3)10-14/h6-7,10,13H,5,8-9H2,1-4H3,(H,17,19)/t13-/m0/s1