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

Systemtic Name: 3,3-dimethyl-2-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(p-tolylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-[(4-methylbenzyl)thio]acetyl]amino]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NC(C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NC(C(=O)O)C(C)(C)C

InChI

InChI=1S/C16H23NO3S/c1-11-5-7-12(8-6-11)9-21-10-13(18)17-14(15(19)20)16(2,3)4/h5-8,14H,9-10H2,1-4H3,(H,17,18)(H,19,20)