tert-butyl 13-acetyloxy-4-ethoxycarbothioylsulfanyl-tridecanoate

Systemtic Name: tert-butyl 13-acetyloxy-4-ethoxycarbothioylsulfanyl-tridecanoate Openeye Name: tert-butyl 13-acetoxy-4-ethoxycarbothioylsulfanyl-tridecanoate CAS Name: 13-acetyloxy-4-[[ethoxy(sulfanylidene)methyl]thio]tridecanoic acid tert-butyl ester IUPAC Name: tert-butyl 13-acetyloxy-4-ethoxycarbothioylsulfanyltridecanoate Traditional Name: 13-acetoxy-4-(ethoxycarbothioylthio)tridecanoic acid tert-butyl ester Formula: C22H40O5S2 MolecularWeight: 448.68

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCCCCCCCCOC(=O)C)CCC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=S)SC(CCCCCCCCCOC(=O)C)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H40O5S2/c1-6-25-21(28)29-19(15-16-20(24)27-22(3,4)5)14-12-10-8-7-9-11-13-17-26-18(2)23/h19H,6-17H2,1-5H3