[(3S,4S,5R)-4-acetyloxy-5-[(2,5-dimethoxyphenyl)-thiophen-2-yl-methyl]thiolan-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R)-4-acetyloxy-5-[(2,5-dimethoxyphenyl)-thiophen-2-yl-methyl]thiolan-3-yl] ethanoate Openeye Name: [(3S,4S,5R)-4-acetoxy-5-[(2,5-dimethoxyphenyl)-(2-thienyl)methyl]tetrahydrothiophen-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R)-4-acetyloxy-5-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-3-thiolanyl] ester IUPAC Name: [(3S,4S,5R)-4-acetyloxy-5-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]thiolan-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R)-4-acetoxy-5-[(2,5-dimethoxyphenyl)-(2-thienyl)methyl]tetrahydrothiophen-3-yl] ester Formula: C21H24O6S2 MolecularWeight: 436.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C1OC(=O)C)C(C2=CC=CS2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)O[C@@H]1CS[C@@H]([C@H]1OC(=O)C)C(C2=CC=CS2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H24O6S2/c1-12(22)26-17-11-29-21(20(17)27-13(2)23)19(18-6-5-9-28-18)15-10-14(24-3)7-8-16(15)25-4/h5-10,17,19-21H,11H2,1-4H3/t17-,19?,20+,21-/m1/s1