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

Systemtic Name: 9-(3-azanyl-2-cyano-1-phenyl-3-sulfanylidene-propyl)-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-(3-amino-2-cyano-1-phenyl-3-thioxo-propyl)-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-(3-amino-2-cyano-1-phenyl-3-sulfanylidenepropyl)-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-(3-amino-2-cyano-1-phenyl-3-sulfanylidenepropyl)-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-(3-amino-2-cyano-1-phenyl-3-thioxo-propyl)-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c20-11-13(16(21)26)14(12-7-3-1-4-8-12)15-17(22)24-19(25-18(15)23)9-5-2-6-10-19/h1,3-4,7-8,13-14,22H,2,5-6,9-10H2,(H2,21,26)/p-1