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

Systemtic Name: 3-[(E)-3-tert-butylsulfanyl-2-fluoranyl-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 3-[(E)-3-tert-butylsulfanyl-2-fluoro-3-oxo-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-[(E)-3-(tert-butylthio)-2-fluoro-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: 3-[(E)-3-tert-butylsulfanyl-2-fluoro-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-[(E)-3-(tert-butylthio)-2-fluoro-3-keto-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C27H27FNO4S- MolecularWeight: 480.570983

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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(C)(C)C)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(C)(C)C)/F)C

InChI

InChI=1S/C27H28FNO4S/c1-25(2,3)34-23(30)21(28)15-22-26(4,5)27(22,24(31)32)20(16-29)17-10-9-13-19(14-17)33-18-11-7-6-8-12-18/h6-15,20,22H,1-5H3,(H,31,32)/p-1/b21-15+