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

Systemtic Name: ethyl 4-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C24H26N6O2S/c1-2-32-24(31)30-13-11-29(12-14-30)22-21(26-18-8-4-5-9-19(18)27-22)28-23-17(15-25)16-7-3-6-10-20(16)33-23/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,26,28)