4-[2-(phenylmethylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 4-[2-(phenylmethylsulfanyl)propanoylamino]benzoic acid Openeye Name: 4-(2-benzylsulfanylpropanoylamino)benzoic acid CAS Name: 4-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid IUPAC Name: 4-(2-benzylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-[2-(benzylthio)propanoylamino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-12(22-11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(8-10-15)17(20)21/h2-10,12H,11H2,1H3,(H,18,19)(H,20,21)