dimethyl 5-azanyl-3-[(3-bromophenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(3-bromophenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-bromobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-bromophenyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-bromobenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-bromobenzoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14BrNO6S MolecularWeight: 428.25446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO6S/c1-22-15(20)11-10(12(16(21)23-2)25-13(11)18)7-24-14(19)8-4-3-5-9(17)6-8/h3-6H,7,18H2,1-2H3