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

Systemtic Name: 2-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c1-8(12(15)14-9-6-7-9)18-11-5-3-2-4-10(11)13(16)17/h2-5,8-9H,6-7H2,1H3,(H,14,15)(H,16,17)/p-1/t8-/m0/s1