methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithiolan-2-yl)propanoate

Systemtic Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithiolan-2-yl)propanoate Openeye Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithiolan-2-yl)propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithiolan-2-yl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithiolan-2-yl)propanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithiolan-2-yl)propionic acid methyl ester Formula: C14H16O4S2 MolecularWeight: 312.40444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4S2/c1-16-13(15)7-10(14-19-4-5-20-14)9-2-3-11-12(6-9)18-8-17-11/h2-3,6,10,14H,4-5,7-8H2,1H3/t10-/m0/s1