2-methyl-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 2-methyl-4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 2-isopropyl-2-methyl-4-(2-methylsulfanylanilino)-4-oxo-butanoic acid CAS Name: 2-methyl-4-[2-(methylthio)anilino]-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 2-methyl-4-(2-methylsulfanylanilino)-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 2-isopropyl-4-keto-2-methyl-4-[2-(methylthio)anilino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-10(2)15(3,14(18)19)9-13(17)16-11-7-5-6-8-12(11)20-4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)