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

Systemtic Name: dimethyl 5-azanyl-3-[(5-bromanyl-2-oxidanyl-phenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-bromo-2-hydroxy-benzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-bromo-2-hydroxyphenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-bromo-2-hydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(5-bromo-2-hydroxy-benzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14BrNO7S MolecularWeight: 444.25386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=C(C=CC(=C2)Br)O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=C(C=CC(=C2)Br)O)C(=O)OC)N

InChI

InChI=1S/C16H14BrNO7S/c1-23-15(21)11-9(12(16(22)24-2)26-13(11)18)6-25-14(20)8-5-7(17)3-4-10(8)19/h3-5,19H,6,18H2,1-2H3