ethyl 2-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-bromophenyl)sulfonylamino]-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(brosylamino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H23BrN4O4S2 MolecularWeight: 587.50852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H23BrN4O4S2/c1-2-34-25(31)21-17-7-3-6-10-20(17)35-24(21)29-22-23(28-19-9-5-4-8-18(19)27-22)30-36(32,33)16-13-11-15(26)12-14-16/h4-5,8-9,11-14H,2-3,6-7,10H2,1H3,(H,27,29)(H,28,30)