ethyl 4-(4-methylphenyl)-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(1-piperidyl)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[3-(1-piperidinyl)-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate Traditional Name: 2-[(3-piperidinoquinoxalin-2-yl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H28N4O2S MolecularWeight: 472.60182

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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=C3N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4N=C3N5CCCCC5

InChI

InChI=1S/C27H28N4O2S/c1-3-33-27(32)23-20(19-13-11-18(2)12-14-19)17-34-26(23)30-24-25(31-15-7-4-8-16-31)29-22-10-6-5-9-21(22)28-24/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,28,30)