methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-[4-(2-fluorophenyl)piperazino]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H28FN5O2S MolecularWeight: 517.617623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=CC=C6F

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=CC=C6F

InChI

InChI=1S/C28H28FN5O2S/c1-36-28(35)24-18-8-2-7-13-23(18)37-27(24)32-25-26(31-21-11-5-4-10-20(21)30-25)34-16-14-33(15-17-34)22-12-6-3-9-19(22)29/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,30,32)