[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O[C@H](C)C(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C23H27N3O3S/c1-4-17-8-10-18(11-9-17)20-25-19(14-30-20)22(28)29-16(2)21(27)26(3)23(15-24)12-6-5-7-13-23/h8-11,14,16H,4-7,12-13H2,1-3H3/t16-/m1/s1