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

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-hydroxy-benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2O)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2O)C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-12(21)26-11-14(10-13-6-3-2-4-7-13)18(23)20-16-9-5-8-15(17(16)22)19(24)25/h2-9,14,22H,10-11H2,1H3,(H,20,23)(H,24,25)