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

Systemtic Name: 9-(3-azanyl-2-cyano-1-pyridin-3-yl-3-sulfanylidene-propyl)-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(3-pyridyl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(3-pyridinyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-(3-amino-2-cyano-1-pyridin-3-yl-3-sulfanylidenepropyl)-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(3-pyridyl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C18H18N3O4S- MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c19-9-12(15(20)26)13(11-5-4-8-21-10-11)14-16(22)24-18(25-17(14)23)6-2-1-3-7-18/h4-5,8,10,12-13,22H,1-3,6-7H2,(H2,20,26)/p-1