4-[3-(phenylmethylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(phenylmethylsulfanyl)propanoylamino]benzoic acid Openeye Name: 4-(3-benzylsulfanylpropanoylamino)benzoic acid CAS Name: 4-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid IUPAC Name: 4-(3-benzylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-[3-(benzylthio)propanoylamino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO3S/c19-16(10-11-22-12-13-4-2-1-3-5-13)18-15-8-6-14(7-9-15)17(20)21/h1-9H,10-12H2,(H,18,19)(H,20,21)