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

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-8(2)14-12(15)9(3)18-11-6-4-10(5-7-11)13(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1