[(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate

Systemtic Name: [(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Openeye Name: [(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate CAS Name: benzoic acid [(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-2-thiiranyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Traditional Name: benzoic acid [(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C3CS3)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]3CS3)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C16H18O5S/c1-16(2)20-13-12(11(10-8-22-10)19-15(13)21-16)18-14(17)9-6-4-3-5-7-9/h3-7,10-13,15H,8H2,1-2H3/t10-,11-,12+,13-,15-/m1/s1