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

Systemtic Name: ethyl 2-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[4-[(E)-cinnamyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-[4-[(E)-cinnamyl]piperazino]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H35N5O2S MolecularWeight: 553.7176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)CC=CC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C/C=C/C6=CC=CC=C6

InChI

InChI=1S/C32H35N5O2S/c1-2-39-32(38)28-24-14-6-9-17-27(24)40-31(28)35-29-30(34-26-16-8-7-15-25(26)33-29)37-21-19-36(20-22-37)18-10-13-23-11-4-3-5-12-23/h3-5,7-8,10-13,15-16H,2,6,9,14,17-22H2,1H3,(H,33,35)/b13-10+