2,2-diethyl-4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-(3-methylsulfanylanilino)-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-[3-(methylthio)anilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-(3-methylsulfanylanilino)-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-4-[3-(methylthio)anilino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=CC=C1)SC)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=CC=C1)SC)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-4-15(5-2,14(18)19)10-13(17)16-11-7-6-8-12(9-11)20-3/h6-9H,4-5,10H2,1-3H3,(H,16,17)(H,18,19)