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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C22H22N2O4S/c1-24(22(15-23)11-5-2-6-12-22)19(25)14-28-21(27)17-9-4-3-8-16(17)20(26)18-10-7-13-29-18/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3