ethyl 2-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-o-phenetylpiperazino)quinoxalin-2-yl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C33H33N5O3S MolecularWeight: 579.71182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C33H33N5O3S/c1-3-40-28-17-11-10-16-27(28)37-18-20-38(21-19-37)31-30(34-25-14-8-9-15-26(25)35-31)36-32-29(33(39)41-4-2)24(22-42-32)23-12-6-5-7-13-23/h5-17,22H,3-4,18-21H2,1-2H3,(H,34,36)