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

Systemtic Name: 2-methyl-2-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]pentanoic acid Openeye Name: 2-methyl-2-[[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]pentanoic acid CAS Name: 2-methyl-2-[[2-[2-(methylthio)anilino]-2-oxoethyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]pentanoic acid Traditional Name: 2-[[2-keto-2-[2-(methylthio)anilino]ethyl]amino]-2-methyl-valeric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-4-9-15(2,14(19)20)16-10-13(18)17-11-7-5-6-8-12(11)21-3/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)(H,19,20)