(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-[[(E)-3-fluoranylprop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-[[(E)-3-fluoranylprop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (1,7,7-trimethylnorbornan-2-yl) 2-[[(E)-3-fluoroprop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(E)-3-fluoro-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-[[(E)-3-fluoroprop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[(E)-3-fluoroacryloyl]amino]-4-(methylthio)butyric acid 2-bornyl ester Formula: C18H28FNO3S MolecularWeight: 357.483223

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC(=O)C(CCSC)NC(=O)C=CF)C)C

Isomeric SMILES

CC1(C2CCC1(C(C2)OC(=O)C(CCSC)NC(=O)/C=C/F)C)C

InChI

InChI=1S/C18H28FNO3S/c1-17(2)12-5-8-18(17,3)14(11-12)23-16(22)13(7-10-24-4)20-15(21)6-9-19/h6,9,12-14H,5,7-8,10-11H2,1-4H3,(H,20,21)/b9-6+