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

Systemtic Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propanoate Openeye Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(1,3-dithian-2-yl)propionic acid methyl ester Formula: C15H18O4S2 MolecularWeight: 326.43102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1SCCCS1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C[C@H](C1SCCCS1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18O4S2/c1-17-14(16)8-11(15-20-5-2-6-21-15)10-3-4-12-13(7-10)19-9-18-12/h3-4,7,11,15H,2,5-6,8-9H2,1H3/t11-/m0/s1