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

Systemtic Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H28N2O4S2 MolecularWeight: 424.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H28N2O4S2/c1-6-12-22(13-18-21-17(14-27-18)19(23)26-7-2)28(24,25)16-10-8-15(9-11-16)20(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3