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

Systemtic Name: methyl 5-[2-[(4-bromophenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-ethyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-bromophenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[brosyl(ethyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19BrN2O5S2 MolecularWeight: 511.40926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O5S2/c1-3-23(30(26,27)16-7-4-14(21)5-8-16)12-19(24)22-15-6-9-17-13(10-15)11-18(29-17)20(25)28-2/h4-11H,3,12H2,1-2H3,(H,22,24)