[(3S,4S,5R,6S)-4,5-diacetyloxy-6-carbamimidoylsulfanyl-thian-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-carbamimidoylsulfanyl-thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6S)-4,5-diacetoxy-6-carbamimidoylsulfanyl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(carbamimidoylthio)-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-carbamimidoylsulfanylthian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6S)-4,5-diacetoxy-6-(amidinothio)tetrahydrothiopyran-3-yl] ester Formula: C12H18N2O6S2 MolecularWeight: 350.41112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)SC(=N)N

Isomeric SMILES

CC(=O)O[C@@H]1CS[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC(=N)N

InChI

InChI=1S/C12H18N2O6S2/c1-5(15)18-8-4-21-11(22-12(13)14)10(20-7(3)17)9(8)19-6(2)16/h8-11H,4H2,1-3H3,(H3,13,14)/t8-,9+,10-,11+/m1/s1