ethyl 2-[[cyclohexyl-(4-pentylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[cyclohexyl-(4-pentylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-amylbenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CCCCC3

InChI

InChI=1S/C25H34N2O3S/c1-3-5-7-10-19-13-15-20(16-14-19)24(28)27(21-11-8-6-9-12-21)17-23-26-22(18-31-23)25(29)30-4-2/h13-16,18,21H,3-12,17H2,1-2H3