dimethyl 2-[(S)-1,3-benzodioxol-5-yl(1,3-dithiolan-2-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-1,3-benzodioxol-5-yl(1,3-dithiolan-2-yl)methyl]propanedioate Openeye Name: dimethyl 2-[(S)-1,3-benzodioxol-5-yl(1,3-dithiolan-2-yl)methyl]propanedioate CAS Name: 2-[(S)-1,3-benzodioxol-5-yl(1,3-dithiolan-2-yl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-1,3-benzodioxol-5-yl(1,3-dithiolan-2-yl)methyl]propanedioate Traditional Name: 2-[(S)-1,3-benzodioxol-5-yl(1,3-dithiolan-2-yl)methyl]malonic acid dimethyl ester Formula: C16H18O6S2 MolecularWeight: 370.44052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1SCCS1)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](C1SCCS1)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H18O6S2/c1-19-14(17)13(15(18)20-2)12(16-23-5-6-24-16)9-3-4-10-11(7-9)22-8-21-10/h3-4,7,12-13,16H,5-6,8H2,1-2H3/t12-/m1/s1