methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-methylpiperazino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C(=O)OC

InChI

InChI=1S/C23H27N5O2S/c1-27-11-13-28(14-12-27)21-20(24-16-8-4-5-9-17(16)25-21)26-22-19(23(29)30-2)15-7-3-6-10-18(15)31-22/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,24,26)