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

Systemtic Name: dimethyl 5-azanyl-3-[2-[(3-bromophenyl)carbonylamino]ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-[(3-bromobenzoyl)amino]acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-[(3-bromobenzoyl)amino]acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-[(3-bromobenzoyl)amino]acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H17BrN2O7S MolecularWeight: 485.30578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O7S/c1-26-17(24)13-11(14(18(25)27-2)29-15(13)20)8-28-12(22)7-21-16(23)9-4-3-5-10(19)6-9/h3-6H,7-8,20H2,1-2H3,(H,21,23)