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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)butanoic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)butyric acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

COC(=O)CCCSC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H16O4S/c1-15-13(14)3-2-8-18-10-4-5-11-12(9-10)17-7-6-16-11/h4-5,9H,2-3,6-8H2,1H3