O1-ethyl O3-[(2-methylsulfanylphenyl)methyl] 2-ethylpropanedioate

Systemtic Name: O1-ethyl O3-[(2-methylsulfanylphenyl)methyl] 2-ethylpropanedioate Openeye Name: O1-ethyl O3-[(2-methylsulfanylphenyl)methyl] 2-ethylpropanedioate CAS Name: 2-ethylpropanedioic acid O1-ethyl ester O3-[[2-(methylthio)phenyl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(2-methylsulfanylphenyl)methyl] 2-ethylpropanedioate Traditional Name: 2-ethylmalonic acid O1-ethyl ester O3-[2-(methylthio)benzyl] ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C(=O)OCC1=CC=CC=C1SC

Isomeric SMILES

CCC(C(=O)OCC)C(=O)OCC1=CC=CC=C1SC

InChI

InChI=1S/C15H20O4S/c1-4-12(14(16)18-5-2)15(17)19-10-11-8-6-7-9-13(11)20-3/h6-9,12H,4-5,10H2,1-3H3