[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C16H15N3O3S/c17-9-16(5-1-2-6-16)19-14(20)8-22-15(21)11-3-4-12-13(7-11)23-10-18-12/h3-4,7,10H,1-2,5-6,8H2,(H,19,20)