2-propan-2-ylsulfanylethyl 3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 2-propan-2-ylsulfanylethyl 3-oxidanylidene-3-phenyl-propanoate Openeye Name: 2-isopropylsulfanylethyl 3-oxo-3-phenyl-propanoate CAS Name: 3-oxo-3-phenylpropanoic acid 2-(propan-2-ylthio)ethyl ester IUPAC Name: 2-propan-2-ylsulfanylethyl 3-oxo-3-phenylpropanoate Traditional Name: 3-keto-3-phenyl-propionic acid 2-(isopropylthio)ethyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCOC(=O)CC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)SCCOC(=O)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O3S/c1-11(2)18-9-8-17-14(16)10-13(15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3