dimethyl 5-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-chloro-2-fluoro-anilino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(5-chloro-2-fluoroanilino)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-chloro-2-fluoroanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(5-chloro-2-fluoro-anilino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16ClFN2O5S MolecularWeight: 414.835743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=C(C=CC(=C2)Cl)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=C(C=CC(=C2)Cl)F)C(=O)OC

InChI

InChI=1S/C17H16ClFN2O5S/c1-8-13(16(23)25-2)15(27-14(8)17(24)26-3)21-12(22)7-20-11-6-9(18)4-5-10(11)19/h4-6,20H,7H2,1-3H3,(H,21,22)