2-[(S)-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-cyano-methyl]quinazolin-4-olate

Systemtic Name: 2-[(S)-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-cyano-methyl]quinazolin-4-olate Openeye Name: 2-[(S)-cyano-(1,1-dioxo-1,2-benzothiazol-3-yl)methyl]quinazolin-4-olate CAS Name: 2-[(S)-cyano-(1,1-dioxo-1,2-benzothiazol-3-yl)methyl]-4-quinazolinolate IUPAC Name: 2-[(S)-cyano-(1,1-dioxo-1,2-benzothiazol-3-yl)methyl]quinazolin-4-olate Traditional Name: 2-[(S)-cyano-(1,1-diketo-1,2-benzothiazol-3-yl)methyl]quinazolin-4-olate Formula: C17H9N4O3S- MolecularWeight: 349.34336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(C#N)C3=NS(=O)(=O)C4=CC=CC=C43)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)[C@H](C#N)C3=NS(=O)(=O)C4=CC=CC=C43)[O-]

InChI

InChI=1S/C17H10N4O3S/c18-9-12(15-11-6-2-4-8-14(11)25(23,24)21-15)16-19-13-7-3-1-5-10(13)17(22)20-16/h1-8,12H,(H,19,20,22)/p-1/t12-/m1/s1