methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)butyric acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

COC(=O)CCCSC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H18O4S/c1-16-14(15)4-2-9-19-11-5-6-12-13(10-11)18-8-3-7-17-12/h5-6,10H,2-4,7-9H2,1H3