3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 3-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 3-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC(=CC=C1)CSC

InChI

InChI=1S/C13H17NO3S/c1-9(6-12(15)16)14-13(17)11-5-3-4-10(7-11)8-18-2/h3-5,7,9H,6,8H2,1-2H3,(H,14,17)(H,15,16)