S-tert-butyl (E,2S)-2-cyano-5-iodanyl-2-(2-oxidanylidenepropyl)pent-4-enethioate

Systemtic Name: S-tert-butyl (E,2S)-2-cyano-5-iodanyl-2-(2-oxidanylidenepropyl)pent-4-enethioate Openeye Name: S-tert-butyl (E,2S)-2-acetonyl-2-cyano-5-iodo-pent-4-enethioate CAS Name: (E,2S)-2-cyano-5-iodo-2-(2-oxopropyl)-4-pentenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E,2S)-2-cyano-5-iodo-2-(2-oxopropyl)pent-4-enethioate Traditional Name: (E,2S)-2-acetonyl-2-cyano-5-iodo-pent-4-enethioic acid S-tert-butyl ester Formula: C13H18INO2S MolecularWeight: 379.25699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC=CI)(C#N)C(=O)SC(C)(C)C

Isomeric SMILES

CC(=O)C[C@@](C/C=C/I)(C#N)C(=O)SC(C)(C)C

InChI

InChI=1S/C13H18INO2S/c1-10(16)8-13(9-15,6-5-7-14)11(17)18-12(2,3)4/h5,7H,6,8H2,1-4H3/b7-5+/t13-/m0/s1