ethyl 2-ethenyl-5-iodanyl-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)pentanoate

Systemtic Name: ethyl 2-ethenyl-5-iodanyl-2-(2-oxidanylidene-2-phenylsulfanyl-ethyl)pentanoate Openeye Name: ethyl 5-iodo-2-(2-oxo-2-phenylsulfanyl-ethyl)-2-vinyl-pentanoate CAS Name: 2-ethenyl-5-iodo-2-[2-oxo-2-(phenylthio)ethyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-ethenyl-5-iodo-2-(2-oxo-2-phenylsulfanylethyl)pentanoate Traditional Name: 2-(3-iodopropyl)-2-[2-keto-2-(phenylthio)ethyl]but-3-enoic acid ethyl ester Formula: C17H21IO3S MolecularWeight: 432.31631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCI)(CC(=O)SC1=CC=CC=C1)C=C

Isomeric SMILES

CCOC(=O)C(CCCI)(CC(=O)SC1=CC=CC=C1)C=C

InChI

InChI=1S/C17H21IO3S/c1-3-17(11-8-12-18,16(20)21-4-2)13-15(19)22-14-9-6-5-7-10-14/h3,5-7,9-10H,1,4,8,11-13H2,2H3