4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-(m-tolylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(3-methylbenzyl)thio]acetyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NCCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-11-4-2-5-12(8-11)9-19-10-13(16)15-7-3-6-14(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,16)(H,17,18)