ethyl 2-[[(4-bromophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(4-bromophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-bromophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-bromophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-bromophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[brosyl(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H21BrN2O5S2 MolecularWeight: 477.39304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCCOC)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCCOC)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O5S2/c1-3-25-17(21)15-12-26-16(19-15)11-20(9-4-10-24-2)27(22,23)14-7-5-13(18)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3