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

Systemtic Name: ethyl 2-[[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-phenylpiperazino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N5O2S MolecularWeight: 513.65374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H31N5O2S/c1-2-36-29(35)25-21-12-6-9-15-24(21)37-28(25)32-26-27(31-23-14-8-7-13-22(23)30-26)34-18-16-33(17-19-34)20-10-4-3-5-11-20/h3-5,7-8,10-11,13-14H,2,6,9,12,15-19H2,1H3,(H,30,32)