(2S)-4-methyl-2-[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-phenylsulfanyl-ethyl]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-phenylsulfanyl-ethyl]pentanoic acid Openeye Name: (2S)-2-[(1S)-2-tert-butoxy-2-oxo-1-phenylsulfanyl-ethyl]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-(phenylthio)ethyl]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylsulfanylethyl]pentanoic acid Traditional Name: (2S)-2-[(1S)-2-tert-butoxy-2-keto-1-(phenylthio)ethyl]-4-methyl-valeric acid Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC(C)(C)C)SC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)C[C@H]([C@@H](C(=O)OC(C)(C)C)SC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H26O4S/c1-12(2)11-14(16(19)20)15(17(21)22-18(3,4)5)23-13-9-7-6-8-10-13/h6-10,12,14-15H,11H2,1-5H3,(H,19,20)/t14-,15+/m1/s1