3-(3-phenylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 3-(3-phenylsulfanylpropanoylamino)benzoic acid Openeye Name: 3-(3-phenylsulfanylpropanoylamino)benzoic acid CAS Name: 3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid IUPAC Name: 3-(3-phenylsulfanylpropanoylamino)benzoic acid Traditional Name: 3-[3-(phenylthio)propanoylamino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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