ethyl 4-(4-methylphenyl)-2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]amino]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-methylpiperazino)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C

InChI

InChI=1S/C27H29N5O2S/c1-4-34-27(33)23-20(19-11-9-18(2)10-12-19)17-35-26(23)30-24-25(32-15-13-31(3)14-16-32)29-22-8-6-5-7-21(22)28-24/h5-12,17H,4,13-16H2,1-3H3,(H,28,30)