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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(p-tolyl)thiazole-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(p-tolyl)thiazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H23N3O3S/c1-15-6-8-16(9-7-15)19-23-17(13-28-19)20(26)27-12-18(25)24(2)21(14-22)10-4-3-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3