9-[3-azanyl-2-cyano-1-(5-methylfuran-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-(5-methylfuran-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-(5-methyl-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-(5-methyl-2-furanyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(5-methylfuran-2-yl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(5-methyl-2-furyl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C18H19N2O5S- MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C2=C(OC3(CCCCC3)OC2=O)[O-])C(C#N)C(=S)N

Isomeric SMILES

CC1=CC=C(O1)C(C2=C(OC3(CCCCC3)OC2=O)[O-])C(C#N)C(=S)N

InChI

InChI=1S/C18H20N2O5S/c1-10-5-6-12(23-10)13(11(9-19)15(20)26)14-16(21)24-18(25-17(14)22)7-3-2-4-8-18/h5-6,11,13,21H,2-4,7-8H2,1H3,(H2,20,26)/p-1