3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoate IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(benzylthio)acetyl]amino]benzoate Formula: C16H14NO3S- MolecularWeight: 300.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H15NO3S/c18-15(11-21-10-12-5-2-1-3-6-12)17-14-8-4-7-13(9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)/p-1