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

Systemtic Name: ethyl 2-[[(4-hexylphenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-hexylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-hexylbenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3S/c1-5-7-8-9-10-18-11-13-19(14-12-18)22(26)25(17(3)4)15-21-24-20(16-29-21)23(27)28-6-2/h11-14,16-17H,5-10,15H2,1-4H3