O1-methyl O3-[(4-methylsulfanylphenyl)methyl] 2,2-diethylpropanedioate

Systemtic Name: O1-methyl O3-[(4-methylsulfanylphenyl)methyl] 2,2-diethylpropanedioate Openeye Name: O1-methyl O3-[(4-methylsulfanylphenyl)methyl] 2,2-diethylpropanedioate CAS Name: 2,2-diethylpropanedioic acid O1-methyl ester O3-[[4-(methylthio)phenyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[(4-methylsulfanylphenyl)methyl] 2,2-diethylpropanedioate Traditional Name: 2,2-diethylmalonic acid O1-methyl ester O3-[4-(methylthio)benzyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OC)C(=O)OCC1=CC=C(C=C1)SC

Isomeric SMILES

CCC(CC)(C(=O)OC)C(=O)OCC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H22O4S/c1-5-16(6-2,14(17)19-3)15(18)20-11-12-7-9-13(21-4)10-8-12/h7-10H,5-6,11H2,1-4H3