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

Systemtic Name: 9-[3-azanyl-2-cyano-1-(3-hydroxyphenyl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(3-hydroxyphenyl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(3-hydroxyphenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(3-hydroxyphenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(3-hydroxyphenyl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C19H19N2O5S- MolecularWeight: 387.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c20-10-13(16(21)27)14(11-5-4-6-12(22)9-11)15-17(23)25-19(26-18(15)24)7-2-1-3-8-19/h4-6,9,13-14,22-23H,1-3,7-8H2,(H2,21,27)/p-1