[(Z)-4-(oxan-2-yloxy)-3-oxidanylidene-2-phenylsulfanyl-but-1-enyl] ethanoate

Systemtic Name: [(Z)-4-(oxan-2-yloxy)-3-oxidanylidene-2-phenylsulfanyl-but-1-enyl] ethanoate Openeye Name: [(Z)-3-oxo-2-phenylsulfanyl-4-tetrahydropyran-2-yloxy-but-1-enyl] acetate CAS Name: acetic acid [(Z)-4-(2-oxanyloxy)-3-oxo-2-(phenylthio)but-1-enyl] ester IUPAC Name: [(Z)-4-(oxan-2-yloxy)-3-oxo-2-phenylsulfanylbut-1-enyl] acetate Traditional Name: acetic acid [(Z)-3-keto-2-(phenylthio)-4-tetrahydropyran-2-yloxy-but-1-enyl] ester Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC=C(C(=O)COC1CCCCO1)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)O/C=C(/C(=O)COC1CCCCO1)\SC2=CC=CC=C2

InChI

InChI=1S/C17H20O5S/c1-13(18)21-12-16(23-14-7-3-2-4-8-14)15(19)11-22-17-9-5-6-10-20-17/h2-4,7-8,12,17H,5-6,9-11H2,1H3/b16-12-