[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 4-cyanobenzoate

Systemtic Name: [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 4-cyanobenzoate Openeye Name: [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C19H11N3O3S MolecularWeight: 361.37394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)C#N)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)COC(=O)C3=CC=C(C=C3)C#N)/S2

InChI

InChI=1S/C19H11N3O3S/c20-9-12-5-7-13(8-6-12)19(24)25-11-16(23)14(10-21)18-22-15-3-1-2-4-17(15)26-18/h1-8,22H,11H2/b18-14-