methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C18H13ClFNO3S MolecularWeight: 377.817123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H13ClFNO3S/c1-24-18(23)15-16(22)12-4-2-3-5-14(12)21-17(15)25-9-10-6-7-11(20)8-13(10)19/h2-8H,9H2,1H3,(H,21,22)