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

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-14-12(13)8-17-9-3-4-10-11(7-9)16-6-2-5-15-10/h3-4,7H,2,5-6,8H2,1H3