ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinoxalinyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC2=NC3=CC=CC=C3N=C2N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H26N4O2S/c1-4-32-26(31)22-16(2)17(3)33-25(22)29-23-24(28-21-12-8-7-11-20(21)27-23)30-14-13-18-9-5-6-10-19(18)15-30/h5-12H,4,13-15H2,1-3H3,(H,27,29)