2-[[[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]methyl]benzoic acid

Systemtic Name: 2-[[[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]methyl]benzoic acid Openeye Name: 2-[[[1-(benzylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]amino]methyl]benzoic acid CAS Name: 2-[[[1-hydroxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]methyl]benzoic acid IUPAC Name: 2-[[(3-benzylsulfanyl-1-hydroxy-1-oxopropan-2-yl)amino]methyl]benzoic acid Traditional Name: 2-[[[1-[(benzylthio)methyl]-2-hydroxy-2-keto-ethyl]amino]methyl]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NCC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO4S/c20-17(21)15-9-5-4-8-14(15)10-19-16(18(22)23)12-24-11-13-6-2-1-3-7-13/h1-9,16,19H,10-12H2,(H,20,21)(H,22,23)