[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-cyanocyclopentane-1-carboxylate

Systemtic Name: [2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-cyanocyclopentane-1-carboxylate Openeye Name: [2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl 1-cyanocyclopentanecarboxylate CAS Name: 1-cyano-1-cyclopentanecarboxylic acid [2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 1-cyanocyclopentane-1-carboxylate Traditional Name: 1-cyanocyclopentanecarboxylic acid [2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)C3(CCCC3)C#N)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)C3(CCCC3)C#N)C(=O)C

InChI

InChI=1S/C21H23N3O3S/c1-3-16-8-4-5-9-18(16)24(15(2)25)20-23-17(13-28-20)12-27-19(26)21(14-22)10-6-7-11-21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3