[2-(methylamino)-2-oxidanylidene-ethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetic acid [2-keto-2-(methylamino)ethyl] ester Formula: C14H14FN3O3S MolecularWeight: 323.342663

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CSC1=NC=CN1C2=CC(=CC=C2)F

Isomeric SMILES

CNC(=O)COC(=O)CSC1=NC=CN1C2=CC(=CC=C2)F

InChI

InChI=1S/C14H14FN3O3S/c1-16-12(19)8-21-13(20)9-22-14-17-5-6-18(14)11-4-2-3-10(15)7-11/h2-7H,8-9H2,1H3,(H,16,19)