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

Systemtic Name: methyl 2-[[(4-hexylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-hexylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-4-5-6-7-8-17-9-11-18(12-10-17)21(25)24(13-14-27-2)15-20-23-19(16-29-20)22(26)28-3/h9-12,16H,4-8,13-15H2,1-3H3