1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-2-fluoranyl-3-methylsulfanyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-2-fluoranyl-3-methylsulfanyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-2-fluoro-3-methylsulfanyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-2-fluoro-3-(methylthio)-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-2-fluoro-3-methylsulfanyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-2-fluoro-3-keto-3-(methylthio)prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C24H21FNO4S- MolecularWeight: 438.491243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C=C(C(=O)SC)F)C

Isomeric SMILES

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])/C=C(\C(=O)SC)/F)C

InChI

InChI=1S/C24H22FNO4S/c1-23(2)20(13-19(25)21(27)31-3)24(23,22(28)29)18(14-26)15-8-7-11-17(12-15)30-16-9-5-4-6-10-16/h4-13,18,20H,1-3H3,(H,28,29)/p-1/b19-13+