4-[2-(4-methylphenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 4-[[2-(p-tolylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 4-[[2-(p-tolylthio)acetyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-10-4-6-11(7-5-10)18-9-12(15)14-8-2-3-13(16)17/h4-7H,2-3,8-9H2,1H3,(H,14,15)(H,16,17)