[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C19H19ClN2O4/c1-12(17(23)22-19(11-21)7-3-2-4-8-19)25-18(24)16-10-13-9-14(20)5-6-15(13)26-16/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,22,23)/t12-/m0/s1