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

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-tert-butylbenzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylbenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylbenzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2O3S/c1-15(2)11-12-24(13-19-23-18(14-28-19)21(26)27-6)20(25)16-7-9-17(10-8-16)22(3,4)5/h7-10,14-15H,11-13H2,1-6H3