methyl 2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[brosyl(methyl)amino]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C15H16BrN3O5S2 MolecularWeight: 462.33864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C15H16BrN3O5S2/c1-9-13(14(21)24-3)25-15(17-9)18-12(20)8-19(2)26(22,23)11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,18,20)