[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H16N4O3S MolecularWeight: 452.48454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C25H16N4O3S/c26-13-17(23-27-18-9-3-4-10-19(18)28-23)21(30)14-32-25(31)16-8-2-1-7-15(16)24-29-20-11-5-6-12-22(20)33-24/h1-12,27-28H,14H2