2-chloranyl-5-[2-(phenylmethylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(phenylmethylsulfanyl)propanoylamino]benzoic acid Openeye Name: 5-(2-benzylsulfanylpropanoylamino)-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid IUPAC Name: 5-(2-benzylsulfanylpropanoylamino)-2-chlorobenzoic acid Traditional Name: 5-[2-(benzylthio)propanoylamino]-2-chloro-benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO3S/c1-11(23-10-12-5-3-2-4-6-12)16(20)19-13-7-8-15(18)14(9-13)17(21)22/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)