(4S)-3-azanylidene-4-(1,3-benzothiazol-2-yl)-2-cyano-4-(4-oxidanylidene-1H-quinazolin-2-yl)cyclopenten-1-olate

Systemtic Name: (4S)-3-azanylidene-4-(1,3-benzothiazol-2-yl)-2-cyano-4-(4-oxidanylidene-1H-quinazolin-2-yl)cyclopenten-1-olate Openeye Name: (4S)-4-(1,3-benzothiazol-2-yl)-2-cyano-3-imino-4-(4-oxo-1H-quinazolin-2-yl)cyclopenten-1-olate CAS Name: (4S)-4-(1,3-benzothiazol-2-yl)-2-cyano-3-imino-4-(4-oxo-1H-quinazolin-2-yl)-1-cyclopentenolate IUPAC Name: (4S)-4-(1,3-benzothiazol-2-yl)-2-cyano-3-imino-4-(4-oxo-1H-quinazolin-2-yl)cyclopenten-1-olate Traditional Name: (4S)-4-(1,3-benzothiazol-2-yl)-2-cyano-3-imino-4-(4-keto-1H-quinazolin-2-yl)cyclopenten-1-olate Formula: C21H12N5O2S- MolecularWeight: 398.41728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=N)C1(C2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4)C#N)[O-]

Isomeric SMILES

C1C(=C(C(=N)[C@@]1(C2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4)C#N)[O-]

InChI

InChI=1S/C21H13N5O2S/c22-10-12-15(27)9-21(17(12)23,20-25-14-7-3-4-8-16(14)29-20)19-24-13-6-2-1-5-11(13)18(28)26-19/h1-8,23,27H,9H2,(H,24,26,28)/p-1/t21-/m0/s1