3-methyl-2-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[2-(methylthio)anilino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-[2-(methylthio)anilino]ethyl]amino]-3-methyl-butyric acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C14H20N2O3S/c1-9(2)13(14(18)19)15-8-12(17)16-10-6-4-5-7-11(10)20-3/h4-7,9,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)