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

Systemtic Name: 9-[3-azanyl-2-cyano-1-(furan-2-yl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(2-furyl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(2-furanyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(furan-2-yl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(2-furyl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C17H17N2O5S- MolecularWeight: 361.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CC=CO3)C(C#N)C(=S)N)[O-]

Isomeric SMILES

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CC=CO3)C(C#N)C(=S)N)[O-]

InChI

InChI=1S/C17H18N2O5S/c18-9-10(14(19)25)12(11-5-4-8-22-11)13-15(20)23-17(24-16(13)21)6-2-1-3-7-17/h4-5,8,10,12,20H,1-3,6-7H2,(H2,19,25)/p-1