[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H18FNO5S MolecularWeight: 391.413323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CSC3=CC=CC=C3F

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C19H18FNO5S/c1-12(26-18(22)10-27-17-5-3-2-4-14(17)20)19(23)21-9-13-6-7-15-16(8-13)25-11-24-15/h2-8,12H,9-11H2,1H3,(H,21,23)/t12-/m1/s1