[(4S)-5-cyano-4-(2-iodanylphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate

Systemtic Name: [(4S)-5-cyano-4-(2-iodanylphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4S)-5-cyano-4-(2-iodophenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4S)-5-cyano-4-(2-iodophenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4S)-5-cyano-4-(2-iodophenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-1,4-dihydropyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4S)-5-cyano-4-(2-iodophenyl)-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-1,4-dihydropyridin-3-ylidene]-ethoxy-methanolate Formula: C18H16IN2O5S- MolecularWeight: 499.29951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(NC1=O)SCC(=O)OC)C#N)C2=CC=CC=C2I)[O-]

Isomeric SMILES

CCOC(=C1[C@@H](C(=C(NC1=O)SCC(=O)OC)C#N)C2=CC=CC=C2I)[O-]

InChI

InChI=1S/C18H17IN2O5S/c1-3-26-18(24)15-14(10-6-4-5-7-12(10)19)11(8-20)17(21-16(15)23)27-9-13(22)25-2/h4-7,14,24H,3,9H2,1-2H3,(H,21,23)/p-1/t14-/m1/s1