[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H18ClFN2O3S MolecularWeight: 408.874223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C19H18ClFN2O3S/c1-23(19(11-22)7-3-2-4-8-19)15(24)10-26-18(25)17-16(20)13-6-5-12(21)9-14(13)27-17/h5-6,9H,2-4,7-8,10H2,1H3