4,6-dioxabicyclo[3.1.1]heptane; propyl 2-(4-ethylphenyl)sulfanyl-3-oxidanylidene-pentanoate

Systemtic Name: 4,6-dioxabicyclo[3.1.1]heptane; propyl 2-(4-ethylphenyl)sulfanyl-3-oxidanylidene-pentanoate Openeye Name: 4,6-dioxabicyclo[3.1.1]heptane; propyl 2-(4-ethylphenyl)sulfanyl-3-oxo-pentanoate CAS Name: 4,6-dioxabicyclo[3.1.1]heptane; 2-[(4-ethylphenyl)thio]-3-oxopentanoic acid propyl ester IUPAC Name: 4,6-dioxabicyclo[3.1.1]heptane; propyl 2-(4-ethylphenyl)sulfanyl-3-oxopentanoate Traditional Name: 4,6-dioxabicyclo[3.1.1]heptane; 2-[(4-ethylphenyl)thio]-3-keto-valeric acid propyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CC.C1COC2CC1O2

Isomeric SMILES

CCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CC.C1COC2CC1O2

InChI

InChI=1S/C16H22O3S.C5H8O2/c1-4-11-19-16(18)15(14(17)6-3)20-13-9-7-12(5-2)8-10-13;1-2-6-5-3-4(1)7-5/h7-10,15H,4-6,11H2,1-3H3;4-5H,1-3H2