(4-fluoranyl-6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl ethanoate

Systemtic Name: (4-fluoranyl-6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl ethanoate Openeye Name: (4-fluoro-6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl acetate CAS Name: acetic acid (4-fluoro-6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl ester IUPAC Name: (4-fluoro-6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl acetate Traditional Name: acetic acid (4-fluoro-6-keto-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl ester Formula: C16H13FO4S MolecularWeight: 320.335423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC2=C(C=C1)SC3=C(C(=CCC3)F)OC2=O

Isomeric SMILES

CC(=O)OCC1=CC2=C(C=C1)SC3=C(C(=CCC3)F)OC2=O

InChI

InChI=1S/C16H13FO4S/c1-9(18)20-8-10-5-6-13-11(7-10)16(19)21-15-12(17)3-2-4-14(15)22-13/h3,5-7H,2,4,8H2,1H3