diethyl 2-acetamido-2-[(4-octylsulfanylphenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-octylsulfanylphenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-octylsulfanylphenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[[4-(octylthio)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-octylsulfanylphenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-[4-(octylthio)benzyl]malonic acid diethyl ester Formula: C24H37NO5S MolecularWeight: 451.61928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C24H37NO5S/c1-5-8-9-10-11-12-17-31-21-15-13-20(14-16-21)18-24(25-19(4)26,22(27)29-6-2)23(28)30-7-3/h13-16H,5-12,17-18H2,1-4H3,(H,25,26)