[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C22H18BrNO6S MolecularWeight: 504.35042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO6S/c1-28-18-10-15(22(27)30-12-17(25)13-5-3-6-14(23)9-13)16(11-19(18)29-2)24-21(26)20-7-4-8-31-20/h3-11H,12H2,1-2H3,(H,24,26)