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

Systemtic Name: 3-methyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(o-tolylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(o-tolylthio)acetyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9(2)13(14(17)18)15-12(16)8-19-11-7-5-4-6-10(11)3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)