1,3-benzodioxol-5-yl (2R)-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid 1,3-benzodioxol-5-yl ester Formula: C18H16FNO5S MolecularWeight: 377.386743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)OCO2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)OC1=CC2=C(C=C1)OCO2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FNO5S/c1-11(26-9-17(21)20-13-4-2-12(19)3-5-13)18(22)25-14-6-7-15-16(8-14)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,20,21)/t11-/m1/s1