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

Systemtic Name: 4-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-3-13-11(14)8(2)17-10-6-4-9(5-7-10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)/p-1/t8-/m0/s1