ethyl 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H19ClN4O6S MolecularWeight: 514.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=NC4=CC(=C(C=C43)OC)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=NC4=CC(=C(C=C43)OC)OC)Cl

InChI

InChI=1S/C23H19ClN4O6S/c1-4-34-22(29)19-15(12-5-7-13(8-6-12)28(30)31)11-35-21(19)26-20-14-9-17(32-2)18(33-3)10-16(14)25-23(24)27-20/h5-11H,4H2,1-3H3,(H,25,26,27)