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

Systemtic Name: methyl 5-[2-[(4-bromophenyl)sulfonyl-phenethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-phenethyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-bromophenyl)sulfonyl-phenethylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-phenethylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[brosyl(phenethyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H23BrN2O5S2 MolecularWeight: 587.50522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H23BrN2O5S2/c1-34-26(31)24-16-19-15-21(9-12-23(19)35-24)28-25(30)17-29(14-13-18-5-3-2-4-6-18)36(32,33)22-10-7-20(27)8-11-22/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)