diethyl 2-cyclopentyl-2-phenylsulfanyl-propanedioate

Systemtic Name: diethyl 2-cyclopentyl-2-phenylsulfanyl-propanedioate Openeye Name: diethyl 2-cyclopentyl-2-phenylsulfanyl-propanedioate CAS Name: 2-cyclopentyl-2-(phenylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-cyclopentyl-2-phenylsulfanylpropanedioate Traditional Name: 2-cyclopentyl-2-(phenylthio)malonic acid diethyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCC1)(C(=O)OCC)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1CCCC1)(C(=O)OCC)SC2=CC=CC=C2

InChI

InChI=1S/C18H24O4S/c1-3-21-16(19)18(17(20)22-4-2,14-10-8-9-11-14)23-15-12-6-5-7-13-15/h5-7,12-14H,3-4,8-11H2,1-2H3