[(2S,3R,4R,5S,6R)-5-acetyloxy-6-ethylsulfanyl-4-imidazol-1-ylcarbothioyloxy-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5S,6R)-5-acetyloxy-6-ethylsulfanyl-4-imidazol-1-ylcarbothioyloxy-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6R)-5-acetoxy-6-ethylsulfanyl-4-(imidazole-1-carbothioyloxy)-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6R)-5-acetyloxy-6-(ethylthio)-4-[1-imidazolyl(sulfanylidene)methoxy]-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-5-acetyloxy-6-ethylsulfanyl-4-(imidazole-1-carbothioyloxy)-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6R)-5-acetoxy-6-(ethylthio)-4-(imidazole-1-carbothioyloxy)-2-methyl-tetrahydropyran-3-yl] ester Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)C)OC(=O)C)OC(=S)N2C=CN=C2)OC(=O)C

Isomeric SMILES

CCS[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OC(=O)C)OC(=S)N2C=CN=C2)OC(=O)C

InChI

InChI=1S/C16H22N2O6S2/c1-5-26-15-14(23-11(4)20)13(12(9(2)21-15)22-10(3)19)24-16(25)18-7-6-17-8-18/h6-9,12-15H,5H2,1-4H3/t9-,12+,13+,14-,15+/m0/s1