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

Systemtic Name: methyl 2-[[(4-hexylphenyl)carbonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-hexylphenyl)-oxomethyl]-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4S/c1-4-5-6-7-9-18-10-12-19(13-11-18)22(26)25(14-8-15-28-2)16-21-24-20(17-30-21)23(27)29-3/h10-13,17H,4-9,14-16H2,1-3H3