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

Systemtic Name: ethyl 2-[[cyclopropyl-(4-pentylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclopropyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclopropyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-amylbenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

InChI

InChI=1S/C22H28N2O3S/c1-3-5-6-7-16-8-10-17(11-9-16)21(25)24(18-12-13-18)14-20-23-19(15-28-20)22(26)27-4-2/h8-11,15,18H,3-7,12-14H2,1-2H3