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

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-isoamyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S2/c1-15(2)11-12-23(13-19-22-18(14-28-19)20(24)27-6)29(25,26)17-9-7-16(8-10-17)21(3,4)5/h7-10,14-15H,11-13H2,1-6H3