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

Systemtic Name: ethyl 2-[[3-ethoxypropyl-(4-hexylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-ethoxypropyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-ethoxypropyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-ethoxypropyl-(4-hexylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-ethoxypropyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C25H36N2O4S MolecularWeight: 460.62934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCCOCC)CC2=NC(=CS2)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCCOCC)CC2=NC(=CS2)C(=O)OCC

InChI

InChI=1S/C25H36N2O4S/c1-4-7-8-9-11-20-12-14-21(15-13-20)24(28)27(16-10-17-30-5-2)18-23-26-22(19-32-23)25(29)31-6-3/h12-15,19H,4-11,16-18H2,1-3H3