dimethyl 2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H15ClFNO5S MolecularWeight: 411.831803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H15ClFNO5S/c1-25-17(23)10-3-5-12(18(24)26-2)15(7-10)21-16(22)9-27-11-4-6-14(20)13(19)8-11/h3-8H,9H2,1-2H3,(H,21,22)