[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CSC(=N1)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CSC(=N1)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H21N3O3S/c1-23(20(14-21)10-6-3-7-11-20)17(24)12-26-19(25)16-13-27-18(22-16)15-8-4-2-5-9-15/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3