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

Systemtic Name: ethyl 4-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N5O4S MolecularWeight: 495.59386

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4S/c1-3-34-25(32)30-14-12-29(13-15-30)22-21(26-17-9-5-6-10-18(17)27-22)28-23-20(24(31)33-2)16-8-4-7-11-19(16)35-23/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3,(H,26,28)