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

Systemtic Name: methyl 5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(2-iodanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H17IN2O5S MolecularWeight: 500.30745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17IN2O5S/c1-3-26-13(22)9-27-17-11(8-20)14(10-6-4-5-7-12(10)19)15(16(23)21-17)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)