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

Systemtic Name: methyl 2-[[tert-butyl-(4-hexylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[tert-butyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[tert-butyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[tert-butyl-(4-hexylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[tert-butyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl 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)OC)C(C)(C)C

Isomeric SMILES

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

InChI

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