[2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C18H15F2NO6S MolecularWeight: 411.376606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C18H15F2NO6S/c1-24-12-3-5-13(6-4-12)28-10-17(23)25-9-16(22)21-11-2-7-14-15(8-11)27-18(19,20)26-14/h2-8H,9-10H2,1H3,(H,21,22)