3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(1-phenylethylsulfanylmethyl)propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(1-phenylethylsulfanylmethyl)propanoic acid Openeye Name: 3-tert-butoxy-3-oxo-2-(1-phenylethylsulfanylmethyl)propanoic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[(1-phenylethylthio)methyl]propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(1-phenylethylsulfanylmethyl)propanoic acid Traditional Name: 3-tert-butoxy-3-keto-2-[(1-phenylethylthio)methyl]propionic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4S/c1-11(12-8-6-5-7-9-12)21-10-13(14(17)18)15(19)20-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,18)