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

Systemtic Name: (3-fluoranyl-6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl ethanoate Openeye Name: (3-fluoro-6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl acetate CAS Name: acetic acid (3-fluoro-6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl ester IUPAC Name: (3-fluoro-6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-yl)methyl acetate Traditional Name: acetic acid (3-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=C(CC3)F)OC2=O

Isomeric SMILES

CC(=O)OCC1=CC2=C(C=C1)SC3=C(C=C(CC3)F)OC2=O

InChI

InChI=1S/C16H13FO4S/c1-9(18)20-8-10-2-4-14-12(6-10)16(19)21-13-7-11(17)3-5-15(13)22-14/h2,4,6-7H,3,5,8H2,1H3