ethyl 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinoxalinyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4S/c1-6-36-28(33)24-16(2)17(3)37-27(24)31-25-26(30-21-10-8-7-9-20(21)29-25)32-12-11-18-13-22(34-4)23(35-5)14-19(18)15-32/h7-10,13-14H,6,11-12,15H2,1-5H3,(H,29,31)