diethyl 2-acetamido-2-[2-(5-octylthiophen-2-yl)ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(5-octylthiophen-2-yl)ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(5-octyl-2-thienyl)ethyl]propanedioate CAS Name: 2-acetamido-2-[2-(5-octyl-2-thiophenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(5-octylthiophen-2-yl)ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-(5-octyl-2-thienyl)ethyl]malonic acid diethyl ester Formula: C23H37NO5S MolecularWeight: 439.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(S1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(S1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C23H37NO5S/c1-5-8-9-10-11-12-13-19-14-15-20(30-19)16-17-23(24-18(4)25,21(26)28-6-2)22(27)29-7-3/h14-15H,5-13,16-17H2,1-4H3,(H,24,25)