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

Systemtic Name: methyl 2-[[2-methoxyethyl-(4-pentylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[2-methoxyethyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-amylbenzoyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=NC(=CS2)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=NC(=CS2)C(=O)OC

InChI

InChI=1S/C21H28N2O4S/c1-4-5-6-7-16-8-10-17(11-9-16)20(24)23(12-13-26-2)14-19-22-18(15-28-19)21(25)27-3/h8-11,15H,4-7,12-14H2,1-3H3