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

Systemtic Name: methyl 2-[[tert-butyl-(4-pentylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[tert-butyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[tert-butyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[tert-butyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-amylbenzoyl)-tert-butyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-6-7-8-9-16-10-12-17(13-11-16)20(25)24(22(2,3)4)14-19-23-18(15-28-19)21(26)27-5/h10-13,15H,6-9,14H2,1-5H3