[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

InChI

InChI=1S/C20H18N2O4S/c21-13-20(9-3-4-10-20)22-17(23)12-26-19(25)15-7-2-1-6-14(15)18(24)16-8-5-11-27-16/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,23)