3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-13(21)25-12-16(10-14-6-3-2-4-7-14)18(22)20-17-9-5-8-15(11-17)19(23)24/h2-9,11,16H,10,12H2,1H3,(H,20,22)(H,23,24)