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

Systemtic Name: 2-[2-(2-methylphenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolylsulfanyl)acetyl]amino]butanoic acid CAS Name: 2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolylthio)acetyl]amino]butyric acid Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S2/c1-10-5-3-4-6-12(10)20-9-13(16)15-11(14(17)18)7-8-19-2/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18)