5-acetyloxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 5-acetyloxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: 5-acetoxy-2-[(2-benzylsulfanylacetyl)amino]benzoate CAS Name: 5-acetyloxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoate IUPAC Name: 5-acetyloxy-2-[(2-benzylsulfanylacetyl)amino]benzoate Traditional Name: 5-acetoxy-2-[[2-(benzylthio)acetyl]amino]benzoate Formula: C18H16NO5S- MolecularWeight: 358.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)NC(=O)CSCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)NC(=O)CSCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H17NO5S/c1-12(20)24-14-7-8-16(15(9-14)18(22)23)19-17(21)11-25-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)(H,22,23)/p-1