methyl 2-[[5-cyano-4-(2-iodanylphenyl)-2-oxidanylidene-3-propanoyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-cyano-4-(2-iodanylphenyl)-2-oxidanylidene-3-propanoyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-cyano-4-(2-iodophenyl)-2-oxo-3-propanoyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(2-iodophenyl)-2-oxo-3-(1-oxopropyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-4-(2-iodophenyl)-2-oxo-3-propanoyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-4-(2-iodophenyl)-2-keto-3-propionyl-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester Formula: C18H17IN2O4S MolecularWeight: 484.30805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(C(=C(NC1=O)SCC(=O)OC)C#N)C2=CC=CC=C2I

Isomeric SMILES

CCC(=O)C1C(C(=C(NC1=O)SCC(=O)OC)C#N)C2=CC=CC=C2I

InChI

InChI=1S/C18H17IN2O4S/c1-3-13(22)16-15(10-6-4-5-7-12(10)19)11(8-20)18(21-17(16)24)26-9-14(23)25-2/h4-7,15-16H,3,9H2,1-2H3,(H,21,24)