[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C22H25N3O3S/c23-15-22(11-5-6-12-22)25-18(26)14-28-20(27)21(9-3-4-10-21)13-19-24-16-7-1-2-8-17(16)29-19/h1-2,7-8H,3-6,9-14H2,(H,25,26)