methyl (2R,3S)-3-(2,2-dimethylpropoxycarbothioylsulfanylcarbonyloxy)-2-ethenyl-octanoate

Systemtic Name: methyl (2R,3S)-3-(2,2-dimethylpropoxycarbothioylsulfanylcarbonyloxy)-2-ethenyl-octanoate Openeye Name: methyl (2R,3S)-3-(2,2-dimethylpropoxycarbothioylsulfanylcarbonyloxy)-2-vinyl-octanoate CAS Name: (2R,3S)-3-[[[2,2-dimethylpropoxy(sulfanylidene)methyl]thio]-oxomethoxy]-2-ethenyloctanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-(2,2-dimethylpropoxycarbothioylsulfanylcarbonyloxy)-2-ethenyloctanoate Traditional Name: (2R)-2-[(1S)-1-(neopentyloxycarbothioylthio)carbonyloxyhexyl]but-3-enoic acid methyl ester Formula: C18H30O5S2 MolecularWeight: 390.5578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C=C)C(=O)OC)OC(=O)SC(=S)OCC(C)(C)C

Isomeric SMILES

CCCCC[C@@H]([C@@H](C=C)C(=O)OC)OC(=O)SC(=S)OCC(C)(C)C

InChI

InChI=1S/C18H30O5S2/c1-7-9-10-11-14(13(8-2)15(19)21-6)23-16(20)25-17(24)22-12-18(3,4)5/h8,13-14H,2,7,9-12H2,1,3-6H3/t13-,14+/m1/s1