[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O3S/c23-14-22(11-5-6-12-22)25-19(26)13-28-21(27)16-8-2-1-7-15(16)20-24-17-9-3-4-10-18(17)29-20/h1-4,7-10H,5-6,11-13H2,(H,25,26)