[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-C-(4-dimethylaminophenyl)-N-oxidanyl-carbonimidoyl]sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-C-(4-dimethylaminophenyl)-N-oxidanyl-carbonimidoyl]sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(Z)-C-(4-dimethylaminophenyl)-N-hydroxy-carbonimidoyl]sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(Z)-(4-dimethylaminophenyl)-hydroxyiminomethyl]thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(Z)-C-(4-dimethylaminophenyl)-N-hydroxycarbonimidoyl]sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[(Z)-(4-dimethylaminophenyl)carbohydroximoyl]thio]tetrahydropyran-2-yl]methyl ester Formula: C23H30N2O10S MolecularWeight: 526.5567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC(=NO)C2=CC=C(C=C2)N(C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S/C(=N\O)/C2=CC=C(C=C2)N(C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C23H30N2O10S/c1-12(26)31-11-18-19(32-13(2)27)20(33-14(3)28)21(34-15(4)29)23(35-18)36-22(24-30)16-7-9-17(10-8-16)25(5)6/h7-10,18-21,23,30H,11H2,1-6H3/b24-22-/t18-,19-,20+,21-,23+/m1/s1