[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzothiophene-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N2O3S/c1-13(17(22)21-19(12-20)9-5-2-6-10-19)24-18(23)16-11-14-7-3-4-8-15(14)25-16/h3-4,7-8,11,13H,2,5-6,9-10H2,1H3,(H,21,22)/t13-/m1/s1