3-phenylpropyl 5-ethylsulfanyl-3-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-ethylsulfanyl-3-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-ethylsulfanyl-3-oxo-pentanoate CAS Name: 5-(ethylthio)-3-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-ethylsulfanyl-3-oxopentanoate Traditional Name: 5-(ethylthio)-3-keto-valeric acid 3-phenylpropyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(=O)CC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCSCCC(=O)CC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S/c1-2-20-12-10-15(17)13-16(18)19-11-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3