diethyl 2-acetamido-2-[4,4,4-tris(fluoranyl)-2-phenethyloxycarbothioylsulfanyl-butyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[4,4,4-tris(fluoranyl)-2-phenethyloxycarbothioylsulfanyl-butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-(4,4,4-trifluoro-2-phenethyloxycarbothioylsulfanyl-butyl)propanedioate CAS Name: 2-acetamido-2-[4,4,4-trifluoro-2-[[phenethyloxy(sulfanylidene)methyl]thio]butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-(4,4,4-trifluoro-2-phenethyloxycarbothioylsulfanylbutyl)propanedioate Traditional Name: 2-acetamido-2-[4,4,4-trifluoro-2-(phenethyloxycarbothioylthio)butyl]malonic acid diethyl ester Formula: C22H28F3NO6S2 MolecularWeight: 523.58603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC(F)(F)F)SC(=S)OCCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(CC(F)(F)F)SC(=S)OCCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H28F3NO6S2/c1-4-30-18(28)21(26-15(3)27,19(29)31-5-2)13-17(14-22(23,24)25)34-20(33)32-12-11-16-9-7-6-8-10-16/h6-10,17H,4-5,11-14H2,1-3H3,(H,26,27)