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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10-3-5-12(6-4-10)8-19-9-13(16)15-11(2)7-14(17)18/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18)