ethyl 5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(2-iodanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(2-iodanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-4-(2-iodophenyl)-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C19H19IN2O5S MolecularWeight: 514.33403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2I)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2I)C#N

InChI

InChI=1S/C19H19IN2O5S/c1-3-26-14(23)10-28-18-12(9-21)15(11-7-5-6-8-13(11)20)16(17(24)22-18)19(25)27-4-2/h5-8,15-16H,3-4,10H2,1-2H3,(H,22,24)