[(3S,4S,5R,6R)-4,5-diacetyloxy-2-(2-methylpyridin-3-yl)-6-oxidanyl-4-pyridin-2-yl-thian-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-2-(2-methylpyridin-3-yl)-6-oxidanyl-4-pyridin-2-yl-thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-4,5-diacetoxy-6-hydroxy-2-(2-methyl-3-pyridyl)-4-(2-pyridyl)tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-(2-methyl-3-pyridinyl)-4-(2-pyridinyl)-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-(2-methylpyridin-3-yl)-4-pyridin-2-ylthian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetoxy-6-hydroxy-2-(2-methyl-3-pyridyl)-4-(2-pyridyl)tetrahydrothiopyran-3-yl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C2C(C(C(C(S2)O)OC(=O)C)(C3=CC=CC=N3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C=CC=N1)C2[C@H]([C@]([C@H]([C@@H](S2)O)OC(=O)C)(C3=CC=CC=N3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H24N2O7S/c1-12-16(8-7-11-23-12)18-19(29-13(2)25)22(31-15(4)27,17-9-5-6-10-24-17)20(21(28)32-18)30-14(3)26/h5-11,18-21,28H,1-4H3/t18?,19-,20+,21-,22+/m1/s1