diethyl 2-acetamido-2-[4-cyano-2-ethoxycarbothioylsulfanyl-4-(phenylcarbonyloxy)butyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[4-cyano-2-ethoxycarbothioylsulfanyl-4-(phenylcarbonyloxy)butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-(4-benzoyloxy-4-cyano-2-ethoxycarbothioylsulfanyl-butyl)propanedioate CAS Name: 2-acetamido-2-[4-benzoyloxy-4-cyano-2-[[ethoxy(sulfanylidene)methyl]thio]butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-(4-benzoyloxy-4-cyano-2-ethoxycarbothioylsulfanylbutyl)propanedioate Traditional Name: 2-acetamido-2-[4-benzoyloxy-4-cyano-2-(ethoxycarbothioylthio)butyl]malonic acid diethyl ester Formula: C24H30N2O8S2 MolecularWeight: 538.6336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC(C#N)OC(=O)C1=CC=CC=C1)SC(=S)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(CC(C#N)OC(=O)C1=CC=CC=C1)SC(=S)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C24H30N2O8S2/c1-5-31-21(29)24(26-16(4)27,22(30)32-6-2)14-19(36-23(35)33-7-3)13-18(15-25)34-20(28)17-11-9-8-10-12-17/h8-12,18-19H,5-7,13-14H2,1-4H3,(H,26,27)