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

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S2/c1-6-28-13-7-12-23(14-19-22-18(15-29-19)20(24)27-5)30(25,26)17-10-8-16(9-11-17)21(2,3)4/h8-11,15H,6-7,12-14H2,1-5H3