4-methylsulfanyl-2-(2-phenoxyethylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(2-phenoxyethylamino)butanoic acid CAS Name: 4-(methylthio)-2-(2-phenoxyethylamino)butanoic acid IUPAC Name: 4-methylsulfanyl-2-(2-phenoxyethylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2-phenoxyethylamino)butyric acid Formula: C13H19NO3S MolecularWeight: 269.35986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCCOC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NCCOC1=CC=CC=C1

InChI

InChI=1S/C13H19NO3S/c1-18-10-7-12(13(15)16)14-8-9-17-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3,(H,15,16)