ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C25H27N5O2S/c1-2-32-25(31)16-11-13-30(14-12-16)23-22(27-19-8-4-5-9-20(19)28-23)29-24-18(15-26)17-7-3-6-10-21(17)33-24/h4-5,8-9,16H,2-3,6-7,10-14H2,1H3,(H,27,29)