methyl 2-[2-cyano-5-(ethylamino)-4-fluoranyl-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-cyano-5-(ethylamino)-4-fluoranyl-phenyl]sulfanylethanoate Openeye Name: methyl 2-[2-cyano-5-(ethylamino)-4-fluoro-phenyl]sulfanylacetate CAS Name: 2-[[2-cyano-5-(ethylamino)-4-fluorophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-cyano-5-(ethylamino)-4-fluorophenyl]sulfanylacetate Traditional Name: 2-[[2-cyano-5-(ethylamino)-4-fluoro-phenyl]thio]acetic acid methyl ester Formula: C12H13FN2O2S MolecularWeight: 268.307223

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C(=C1)SCC(=O)OC)C#N)F

Isomeric SMILES

CCNC1=C(C=C(C(=C1)SCC(=O)OC)C#N)F

InChI

InChI=1S/C12H13FN2O2S/c1-3-15-10-5-11(18-7-12(16)17-2)8(6-14)4-9(10)13/h4-5,15H,3,7H2,1-2H3