4-(2-phenylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 4-(2-phenylsulfanylpropanoylamino)benzoic acid Openeye Name: 4-(2-phenylsulfanylpropanoylamino)benzoic acid CAS Name: 4-[[1-oxo-2-(phenylthio)propyl]amino]benzoic acid IUPAC Name: 4-(2-phenylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-[2-(phenylthio)propanoylamino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-11(21-14-5-3-2-4-6-14)15(18)17-13-9-7-12(8-10-13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)