diethyl 2-acetamido-2-[2-(4-heptylsulfanylphenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(4-heptylsulfanylphenyl)ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(4-heptylsulfanylphenyl)ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[4-(heptylthio)phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(4-heptylsulfanylphenyl)ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[4-(heptylthio)phenyl]ethyl]malonic acid diethyl ester Formula: C24H37NO5S MolecularWeight: 451.61928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C24H37NO5S/c1-5-8-9-10-11-18-31-21-14-12-20(13-15-21)16-17-24(25-19(4)26,22(27)29-6-2)23(28)30-7-3/h12-15H,5-11,16-18H2,1-4H3,(H,25,26)