methyl 2-[2-chloranyl-5-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-chloranyl-5-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-5-fluoro-4-(4-methyl-1-piperazinyl)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-fluoro-4-(4-methylpiperazino)phenyl]thio]acetic acid methyl ester Formula: C14H18ClFN2O2S MolecularWeight: 332.821323

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2F)SCC(=O)OC)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2F)SCC(=O)OC)Cl

InChI

InChI=1S/C14H18ClFN2O2S/c1-17-3-5-18(6-4-17)12-7-10(15)13(8-11(12)16)21-9-14(19)20-2/h7-8H,3-6,9H2,1-2H3