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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C20H21N3O3S/c1-14-5-7-15(8-6-14)18-22-16(12-27-18)19(25)26-11-17(24)23-20(13-21)9-3-2-4-10-20/h5-8,12H,2-4,9-11H2,1H3,(H,23,24)