ethyl 1-(3-chloranylpyridin-4-yl)-6,7-bis(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(3-chloranylpyridin-4-yl)-6,7-bis(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(3-chloro-4-pyridyl)-6,7-difluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-(3-chloro-4-pyridinyl)-6,7-difluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloropyridin-4-yl)-6,7-difluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-(3-chloro-4-pyridyl)-6,7-difluoro-4-keto-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C18H13ClF2N2O3S MolecularWeight: 410.822226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)F)C3=C(C=NC=C3)Cl)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)F)C3=C(C=NC=C3)Cl)SC

InChI

InChI=1S/C18H13ClF2N2O3S/c1-3-26-18(25)15-16(24)9-6-11(20)12(21)7-14(9)23(17(15)27-2)13-4-5-22-8-10(13)19/h4-8H,3H2,1-2H3