O1-ethyl O3-methyl 2-ethyl-2-[methylsulfanyl(phenyl)methyl]propanedioate

Systemtic Name: O1-ethyl O3-methyl 2-ethyl-2-[methylsulfanyl(phenyl)methyl]propanedioate Openeye Name: O1-ethyl O3-methyl 2-ethyl-2-[methylsulfanyl(phenyl)methyl]propanedioate CAS Name: 2-ethyl-2-[(methylthio)-phenylmethyl]propanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-ethyl-2-[methylsulfanyl(phenyl)methyl]propanedioate Traditional Name: 2-ethyl-2-[(methylthio)-phenyl-methyl]malonic acid O1-ethyl ester O3-methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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