ethyl 13-(2,2-dimethylpropanoyloxy)-2-ethanoyl-4-ethoxycarbothioylsulfanyl-tridecanoate

Systemtic Name: ethyl 13-(2,2-dimethylpropanoyloxy)-2-ethanoyl-4-ethoxycarbothioylsulfanyl-tridecanoate Openeye Name: ethyl 2-acetyl-13-(2,2-dimethylpropanoyloxy)-4-ethoxycarbothioylsulfanyl-tridecanoate CAS Name: 2-acetyl-13-(2,2-dimethyl-1-oxopropoxy)-4-[[ethoxy(sulfanylidene)methyl]thio]tridecanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-13-(2,2-dimethylpropanoyloxy)-4-ethoxycarbothioylsulfanyltridecanoate Traditional Name: 2-acetyl-4-(ethoxycarbothioylthio)-13-pivaloyloxy-tridecanoic acid ethyl ester Formula: C25H44O6S2 MolecularWeight: 504.74326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CCCCCCCCCOC(=O)C(C)(C)C)SC(=S)OCC)C(=O)C

Isomeric SMILES

CCOC(=O)C(CC(CCCCCCCCCOC(=O)C(C)(C)C)SC(=S)OCC)C(=O)C

InChI

InChI=1S/C25H44O6S2/c1-7-29-22(27)21(19(3)26)18-20(33-24(32)30-8-2)16-14-12-10-9-11-13-15-17-31-23(28)25(4,5)6/h20-21H,7-18H2,1-6H3