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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC2=C(C=C1)OCCCO2)C(=O)OC

Isomeric SMILES

CC(CSC1=CC2=C(C=C1)OCCCO2)C(=O)OC

InChI

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