(5-cyano-2-fluoranyl-phenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C24H17FN2O5S MolecularWeight: 464.465583

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=C(C=CC(=C4)C#N)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC4=C(C=CC(=C4)C#N)F

InChI

InChI=1S/C24H17FN2O5S/c25-19-7-5-15(11-26)9-16(19)12-30-24(29)18-3-1-2-4-22(18)33-13-23(28)27-17-6-8-20-21(10-17)32-14-31-20/h1-10H,12-14H2,(H,27,28)