[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C17H20N2O3S/c18-11-17(7-3-4-8-17)19-15(20)9-22-16(21)13-10-23-14-6-2-1-5-12(13)14/h10H,1-9H2,(H,19,20)