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

Systemtic Name: 4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-keto-1-methyl-2-(methylamino)ethyl]thio]benzoate Formula: C11H12NO3S- MolecularWeight: 238.28288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-7(10(13)12-2)16-9-5-3-8(4-6-9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)/p-1/t7-/m0/s1