dimethyl 5-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H13ClFNO5S MolecularWeight: 421.826623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)OC

InChI

InChI=1S/C19H13ClFNO5S/c1-26-18(24)9-5-10(19(25)27-2)7-12(6-9)22-17(23)16-15(20)13-4-3-11(21)8-14(13)28-16/h3-8H,1-2H3,(H,22,23)