tert-butyl N-[(2S,3S,4R)-3,4-bis(oxidanyl)-1-phenoxycarbothioyloxy-octadecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,4R)-3,4-bis(oxidanyl)-1-phenoxycarbothioyloxy-octadecan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,3R)-2,3-dihydroxy-1-(phenoxycarbothioyloxymethyl)heptadecyl]carbamate CAS Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[phenoxy(sulfanylidene)methoxy]octadecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,4R)-3,4-dihydroxy-1-phenoxycarbothioyloxyoctadecan-2-yl]carbamate Traditional Name: N-[(1S,2S,3R)-2,3-dihydroxy-1-(phenoxycarbothioyloxymethyl)heptadecyl]carbamic acid tert-butyl ester Formula: C30H51NO6S MolecularWeight: 553.79404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(COC(=S)OC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC(=S)OC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C30H51NO6S/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-26(32)27(33)25(31-28(34)37-30(2,3)4)23-35-29(38)36-24-20-17-16-18-21-24/h16-18,20-21,25-27,32-33H,5-15,19,22-23H2,1-4H3,(H,31,34)/t25-,26+,27-/m0/s1