(3-fluoranyl-4-methoxy-phenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H20FNO6S MolecularWeight: 445.460703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2NC(=O)C3=CC=CS3)OC)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2NC(=O)C3=CC=CS3)OC)OC)F

InChI

InChI=1S/C22H20FNO6S/c1-27-17-7-6-13(9-15(17)23)12-30-22(26)14-10-18(28-2)19(29-3)11-16(14)24-21(25)20-5-4-8-31-20/h4-11H,12H2,1-3H3,(H,24,25)