[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-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=NC(=C(S1)C(=O)OCC(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

InChI

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