methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-(2-ethoxy-2-oxo-ethoxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylate Traditional Name: 4-bromo-3-(2-ethoxy-2-keto-ethoxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylic acid methyl ester Formula: C22H19BrFNO7S2 MolecularWeight: 572.421163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C22H19BrFNO7S2/c1-3-31-17(26)12-32-19-18(23)20(33-21(19)22(27)30-2)13-5-4-6-15(11-13)25-34(28,29)16-9-7-14(24)8-10-16/h4-11,25H,3,12H2,1-2H3