methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

COC(=O)CCSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C12H14O4S/c1-14-12(13)4-7-17-9-2-3-10-11(8-9)16-6-5-15-10/h2-3,8H,4-7H2,1H3