3-[(7-nitro-5-oxidanylidene-[1,3]thiazolo[3,2-a]quinazolin-8-yl)sulfanyl]benzoate

Systemtic Name: 3-[(7-nitro-5-oxidanylidene-[1,3]thiazolo[3,2-a]quinazolin-8-yl)sulfanyl]benzoate Openeye Name: 3-(7-nitro-5-oxo-thiazolo[3,2-a]quinazolin-8-yl)sulfanylbenzoate CAS Name: 3-[(7-nitro-5-oxo-8-thiazolo[3,2-a]quinazolinyl)thio]benzoate IUPAC Name: 3-[(7-nitro-5-oxo-[1,3]thiazolo[3,2-a]quinazolin-8-yl)sulfanyl]benzoate Traditional Name: 3-[(5-keto-7-nitro-thiazolo[3,2-a]quinazolin-8-yl)thio]benzoate Formula: C17H8N3O5S2- MolecularWeight: 398.39252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=C3C(=C2)N4C=CSC4=NC3=O)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=C3C(=C2)N4C=CSC4=NC3=O)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H9N3O5S2/c21-15-11-7-13(20(24)25)14(8-12(11)19-4-5-26-17(19)18-15)27-10-3-1-2-9(6-10)16(22)23/h1-8H,(H,22,23)/p-1