methyl 5-[(5-chloranylthiophen-2-yl)methylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[(5-chloranylthiophen-2-yl)methylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(5-chloro-2-thienyl)methylamino]-2-fluoro-benzoate CAS Name: 5-[(5-chloro-2-thiophenyl)methylamino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(5-chlorothiophen-2-yl)methylamino]-2-fluorobenzoate Traditional Name: 5-[(5-chloro-2-thienyl)methylamino]-2-fluoro-benzoic acid methyl ester Formula: C13H11ClFNO2S MolecularWeight: 299.748343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(S2)Cl)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(S2)Cl)F

InChI

InChI=1S/C13H11ClFNO2S/c1-18-13(17)10-6-8(2-4-11(10)15)16-7-9-3-5-12(14)19-9/h2-6,16H,7H2,1H3