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

Systemtic Name: 4-[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl]thio]benzoate Formula: C13H16NO4S- MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9(12(15)14-7-8-18-2)19-11-5-3-10(4-6-11)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1