3-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(1-phenylethylthio)acetyl]amino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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