ethyl 2-[2-(bromomethyl)-4-methoxy-6-oxidanylidene-pyran-3-yl]-2-phenylsulfanyl-ethanoate

Systemtic Name: ethyl 2-[2-(bromomethyl)-4-methoxy-6-oxidanylidene-pyran-3-yl]-2-phenylsulfanyl-ethanoate Openeye Name: ethyl 2-[2-(bromomethyl)-4-methoxy-6-oxo-pyran-3-yl]-2-phenylsulfanyl-acetate CAS Name: 2-[2-(bromomethyl)-4-methoxy-6-oxo-3-pyranyl]-2-(phenylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(bromomethyl)-4-methoxy-6-oxopyran-3-yl]-2-phenylsulfanylacetate Traditional Name: 2-[2-(bromomethyl)-6-keto-4-methoxy-pyran-3-yl]-2-(phenylthio)acetic acid ethyl ester Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(OC(=O)C=C1OC)CBr)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1=C(OC(=O)C=C1OC)CBr)SC2=CC=CC=C2

InChI

InChI=1S/C17H17BrO5S/c1-3-22-17(20)16(24-11-7-5-4-6-8-11)15-12(21-2)9-14(19)23-13(15)10-18/h4-9,16H,3,10H2,1-2H3