dimethyl 5-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H15BrFNO6S MolecularWeight: 460.271503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)Br)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)Br)F)C(=O)OC

InChI

InChI=1S/C17H15BrFNO6S/c1-8-13(16(22)24-2)15(27-14(8)17(23)25-3)20-12(21)7-26-11-5-4-9(18)6-10(11)19/h4-6H,7H2,1-3H3,(H,20,21)