[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC2=CC=CC=C2S1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC2=CC=CC=C2S1)C3(CCCCC3)C#N

InChI

InChI=1S/C19H20N2O3S/c1-21(19(13-20)9-5-2-6-10-19)17(22)12-24-18(23)16-11-14-7-3-4-8-15(14)25-16/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3