methyl (1R,2S,3S,4R)-3,4-diacetyloxy-2-[(E)-4-(1,3-dithiolan-2-yl)but-2-en-2-yl]-1-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S,4R)-3,4-diacetyloxy-2-[(E)-4-(1,3-dithiolan-2-yl)but-2-en-2-yl]-1-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S,4R)-3,4-diacetoxy-2-[(E)-3-(1,3-dithiolan-2-yl)-1-methyl-prop-1-enyl]-1-hydroxy-cyclohexanecarboxylate CAS Name: (1R,2S,3S,4R)-3,4-diacetyloxy-2-[(E)-4-(1,3-dithiolan-2-yl)but-2-en-2-yl]-1-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S,4R)-3,4-diacetyloxy-2-[(E)-4-(1,3-dithiolan-2-yl)but-2-en-2-yl]-1-hydroxycyclohexane-1-carboxylate Traditional Name: (1R,2S,3S,4R)-3,4-diacetoxy-2-[(E)-3-(1,3-dithiolan-2-yl)-1-methyl-prop-1-enyl]-1-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C19H28O7S2 MolecularWeight: 432.55142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1SCCS1)C2C(C(CCC2(C(=O)OC)O)OC(=O)C)OC(=O)C

Isomeric SMILES

C/C(=C\CC1SCCS1)/[C@H]2[C@@H]([C@@H](CC[C@@]2(C(=O)OC)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H28O7S2/c1-11(5-6-15-27-9-10-28-15)16-17(26-13(3)21)14(25-12(2)20)7-8-19(16,23)18(22)24-4/h5,14-17,23H,6-10H2,1-4H3/b11-5+/t14-,16+,17-,19-/m1/s1