3-[2-(2-methylphenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-[2-(2-methylphenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(o-tolylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-(o-tolylthio)acetyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(C)CC(=O)O

InChI

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