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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC(=O)NC3(CCCC3)C#N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC(=O)NC3(CCCC3)C#N)C

InChI

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