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

Systemtic Name: ethyl 1-[3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4S/c1-3-34-26(32)17-13-15-31(16-14-17)24-23(28-19-10-6-7-11-20(19)29-24)30-25-22(27(33)35-4-2)18-9-5-8-12-21(18)36-25/h6-7,10-11,17H,3-5,8-9,12-16H2,1-2H3,(H,28,30)