methyl 2-[2-(2-fluorophenyl)sulfanylethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(2-fluorophenyl)sulfanylethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(2-fluorophenyl)sulfanylacetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-[(2-fluorophenyl)thio]-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-fluorophenyl)sulfanylacetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-[(2-fluorophenyl)thio]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CSC3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CSC3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C21H18FNO4S/c1-13-14-7-3-5-9-16(14)23-17(20(13)21(25)26-2)11-27-19(24)12-28-18-10-6-4-8-15(18)22/h3-10H,11-12H2,1-2H3