ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoate

Systemtic Name: ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoate Openeye Name: ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetic acid ethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCOC(=O)CSC1=CC2=C(C=C1)OCCCO2

InChI

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