9-[3-azanyl-1-(4-bromophenyl)-2-cyano-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate

Systemtic Name: 9-[3-azanyl-1-(4-bromophenyl)-2-cyano-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-1-(4-bromophenyl)-2-cyano-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-1-(4-bromophenyl)-2-cyano-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-1-(4-bromophenyl)-2-cyano-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-1-(4-bromophenyl)-2-cyano-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C19H18BrN2O4S- MolecularWeight: 450.32622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c20-12-6-4-11(5-7-12)14(13(10-21)16(22)27)15-17(23)25-19(26-18(15)24)8-2-1-3-9-19/h4-7,13-14,23H,1-3,8-9H2,(H2,22,27)/p-1