diethyl 2-[2,2-bis(ethylsulfanyl)ethyl]-2-(3-phenylprop-2-ynyl)propanedioate

Systemtic Name: diethyl 2-[2,2-bis(ethylsulfanyl)ethyl]-2-(3-phenylprop-2-ynyl)propanedioate Openeye Name: diethyl 2-[2,2-bis(ethylsulfanyl)ethyl]-2-(3-phenylprop-2-ynyl)propanedioate CAS Name: 2-[2,2-bis(ethylthio)ethyl]-2-(3-phenylprop-2-ynyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2,2-bis(ethylsulfanyl)ethyl]-2-(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2-[2,2-bis(ethylthio)ethyl]-2-(3-phenylprop-2-ynyl)malonic acid diethyl ester Formula: C22H30O4S2 MolecularWeight: 422.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC1=CC=CC=C1)(CC(SCC)SCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CC1=CC=CC=C1)(CC(SCC)SCC)C(=O)OCC

InChI

InChI=1S/C22H30O4S2/c1-5-25-20(23)22(21(24)26-6-2,17-19(27-7-3)28-8-4)16-12-15-18-13-10-9-11-14-18/h9-11,13-14,19H,5-8,16-17H2,1-4H3