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

Systemtic Name: ethyl 2-[[3-(dibutylamino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(dibutylamino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(dibutylamino)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(dibutylamino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(dibutylamino)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H36N4O2S MolecularWeight: 480.66534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC2=CC=CC=C2N=C1NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCCCN(CCCC)C1=NC2=CC=CC=C2N=C1NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C27H36N4O2S/c1-4-7-17-31(18-8-5-2)25-24(28-20-14-10-11-15-21(20)29-25)30-26-23(27(32)33-6-3)19-13-9-12-16-22(19)34-26/h10-11,14-15H,4-9,12-13,16-18H2,1-3H3,(H,28,30)