4-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]thio]benzoate Formula: C14H18NO4S- MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-10(13(16)15-8-3-9-19-2)20-12-6-4-11(5-7-12)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1