diethyl 2-acetamido-2-[5-[2,4-bis(fluoranyl)phenyl]-2-ethoxycarbothioylsulfanyl-5-oxidanylidene-pentyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[5-[2,4-bis(fluoranyl)phenyl]-2-ethoxycarbothioylsulfanyl-5-oxidanylidene-pentyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[5-(2,4-difluorophenyl)-2-ethoxycarbothioylsulfanyl-5-oxo-pentyl]propanedioate CAS Name: 2-acetamido-2-[5-(2,4-difluorophenyl)-2-[[ethoxy(sulfanylidene)methyl]thio]-5-oxopentyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[5-(2,4-difluorophenyl)-2-ethoxycarbothioylsulfanyl-5-oxopentyl]propanedioate Traditional Name: 2-acetamido-2-[5-(2,4-difluorophenyl)-2-(ethoxycarbothioylthio)-5-keto-pentyl]malonic acid diethyl ester Formula: C23H29F2NO7S2 MolecularWeight: 533.605666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29F2NO7S2/c1-5-31-20(29)23(26-14(4)27,21(30)32-6-2)13-16(35-22(34)33-7-3)9-11-19(28)17-10-8-15(24)12-18(17)25/h8,10,12,16H,5-7,9,11,13H2,1-4H3,(H,26,27)