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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CSC1=CC=CC=C1C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CSC1=CC=CC=C1C

InChI

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