5-acetyloxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 5-acetyloxy-2-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 5-acetoxy-2-[(2-benzylsulfanylacetyl)amino]benzoic acid CAS Name: 5-acetyloxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 5-acetyloxy-2-[(2-benzylsulfanylacetyl)amino]benzoic acid Traditional Name: 5-acetoxy-2-[[2-(benzylthio)acetyl]amino]benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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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)