[7,13-bis(ethoxycarbothioylsulfanyl)-10-oxidanylidene-14-(phenylmethoxycarbonylamino)nonadecan-6-yl] ethanoate

Systemtic Name: [7,13-bis(ethoxycarbothioylsulfanyl)-10-oxidanylidene-14-(phenylmethoxycarbonylamino)nonadecan-6-yl] ethanoate Openeye Name: [9-(benzyloxycarbonylamino)-2,8-bis(ethoxycarbothioylsulfanyl)-5-oxo-1-pentyl-tetradecyl] acetate CAS Name: acetic acid [7,13-bis[[ethoxy(sulfanylidene)methyl]thio]-10-oxo-14-(phenylmethoxycarbonylamino)nonadecan-6-yl] ester IUPAC Name: [7,13-bis(ethoxycarbothioylsulfanyl)-10-oxo-14-(phenylmethoxycarbonylamino)nonadecan-6-yl] acetate Traditional Name: acetic acid [1-amyl-9-(benzyloxycarbonylamino)-2,8-bis(ethoxycarbothioylthio)-5-keto-tetradecyl] ester Formula: C35H55NO7S4 MolecularWeight: 730.0737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCC(=O)CCC(C(CCCCC)OC(=O)C)SC(=S)OCC)SC(=S)OCC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C(CCC(=O)CCC(C(CCCCC)OC(=O)C)SC(=S)OCC)SC(=S)OCC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C35H55NO7S4/c1-6-10-13-19-29(36-33(39)42-25-27-17-15-12-16-18-27)31(46-34(44)40-8-3)23-21-28(38)22-24-32(47-35(45)41-9-4)30(43-26(5)37)20-14-11-7-2/h12,15-18,29-32H,6-11,13-14,19-25H2,1-5H3,(H,36,39)