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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3)N2

InChI

InChI=1S/C21H16N4O3S/c22-11-13(21-24-14-5-1-2-6-15(14)25-21)17(26)12-28-20(27)10-9-19-23-16-7-3-4-8-18(16)29-19/h1-8,24-25H,9-10,12H2