methyl 5-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[brosyl(methyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17BrN2O5S2 MolecularWeight: 497.38268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O5S2/c1-22(29(25,26)15-6-3-13(20)4-7-15)11-18(23)21-14-5-8-16-12(9-14)10-17(28-16)19(24)27-2/h3-10H,11H2,1-2H3,(H,21,23)