methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylate Openeye Name: methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]furan-2-carboxylic acid methyl ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H16O5S/c1-18-16(17)14-5-3-11(21-14)10-22-12-4-6-13-15(9-12)20-8-2-7-19-13/h3-6,9H,2,7-8,10H2,1H3