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

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

CC(CC(=O)OC)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(CC(=O)OC)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H18O4S/c1-10(8-14(15)16-2)19-11-4-5-12-13(9-11)18-7-3-6-17-12/h4-5,9-10H,3,6-8H2,1-2H3