2-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)SC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-9(12(16)15-14(2,3)4)19-11-8-6-5-7-10(11)13(17)18/h5-9H,1-4H3,(H,15,16)(H,17,18)/p-1/t9-/m0/s1