9-[3-azanyl-2-cyano-1-(2-iodanylphenyl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate

Systemtic Name: 9-[3-azanyl-2-cyano-1-(2-iodanylphenyl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(2-iodophenyl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(2-iodophenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(2-iodophenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(2-iodophenyl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C19H18IN2O4S- MolecularWeight: 497.32669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CC=CC=C3I)C(C#N)C(=S)N)[O-]

Isomeric SMILES

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CC=CC=C3I)C(C#N)C(=S)N)[O-]

InChI

InChI=1S/C19H19IN2O4S/c20-13-7-3-2-6-11(13)14(12(10-21)16(22)27)15-17(23)25-19(26-18(15)24)8-4-1-5-9-19/h2-3,6-7,12,14,23H,1,4-5,8-9H2,(H2,22,27)/p-1