methyl 7-chloranyl-2-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 7-chloranyl-2-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 7-chloro-2-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-2-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H16ClFN2O4S MolecularWeight: 434.868443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)OC)F

InChI

InChI=1S/C20H16ClFN2O4S/c1-10-3-5-12(8-14(10)22)23-16(25)9-29-19-17(20(27)28-2)18(26)13-6-4-11(21)7-15(13)24-19/h3-8H,9H2,1-2H3,(H,23,25)(H,24,26)