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

Systemtic Name: dimethyl 5-[2-[(3-fluoranyl-4-methyl-phenyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-fluoro-4-methyl-anilino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-fluoro-4-methylanilino)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-fluoro-4-methyl-anilino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)F

InChI

InChI=1S/C18H19FN2O5S/c1-9-5-6-11(7-12(9)19)20-8-13(22)21-16-14(17(23)25-3)10(2)15(27-16)18(24)26-4/h5-7,20H,8H2,1-4H3,(H,21,22)