3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]benzoic acid CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(benzylthio)acetyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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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)