diethyl 2-[(phenylmethylsulfanyl)methyl]-2-propyl-propanedioate

Systemtic Name: diethyl 2-[(phenylmethylsulfanyl)methyl]-2-propyl-propanedioate Openeye Name: diethyl 2-(benzylsulfanylmethyl)-2-propyl-propanedioate CAS Name: 2-[(phenylmethylthio)methyl]-2-propylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(benzylsulfanylmethyl)-2-propylpropanedioate Traditional Name: 2-[(benzylthio)methyl]-2-propyl-malonic acid diethyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CSCC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC(CSCC1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H26O4S/c1-4-12-18(16(19)21-5-2,17(20)22-6-3)14-23-13-15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3