(4-bromophenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-bromophenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-bromophenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (4-bromobenzyl) ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H18BrNO5S/c1-26-17-10-15(21(25)28-12-13-5-7-14(22)8-6-13)16(11-18(17)27-2)23-20(24)19-4-3-9-29-19/h3-11H,12H2,1-2H3,(H,23,24)