dimethyl 5-azanyl-3-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(6-bromo-2-phenyl-quinoline-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(6-bromo-2-phenylquinoline-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(6-bromo-2-phenyl-quinoline-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H19BrN2O6S MolecularWeight: 555.39716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C(=O)OC)N

InChI

InChI=1S/C25H19BrN2O6S/c1-32-24(30)20-17(21(25(31)33-2)35-22(20)27)12-34-23(29)16-11-19(13-6-4-3-5-7-13)28-18-9-8-14(26)10-15(16)18/h3-11H,12,27H2,1-2H3