2-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: 2-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: 2-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]acetate IUPAC Name: 2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]acetate Formula: C9H16NO3S- MolecularWeight: 218.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SCC(=O)[O-]

InChI

InChI=1S/C9H17NO3S/c1-6(2)4-10-9(13)7(3)14-5-8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)/p-1/t7-/m0/s1