dimethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(2-chloro-6-fluorophenyl)methylthio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(2-chloro-6-fluoro-benzyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H17ClFNO5S MolecularWeight: 425.858383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H17ClFNO5S/c1-26-18(24)11-6-7-12(19(25)27-2)16(8-11)22-17(23)10-28-9-13-14(20)4-3-5-15(13)21/h3-8H,9-10H2,1-2H3,(H,22,23)