ethyl (3R,4R)-3-(4-fluorophenyl)-4-isocyano-2-methylidene-4-(4-methylphenyl)sulfonyl-butanoate

Systemtic Name: ethyl (3R,4R)-3-(4-fluorophenyl)-4-isocyano-2-methylidene-4-(4-methylphenyl)sulfonyl-butanoate Openeye Name: ethyl (3R,4R)-3-(4-fluorophenyl)-4-isocyano-2-methylene-4-(p-tolylsulfonyl)butanoate CAS Name: (3R,4R)-3-(4-fluorophenyl)-4-isocyano-2-methylene-4-(4-methylphenyl)sulfonylbutanoic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-(4-fluorophenyl)-4-isocyano-2-methylidene-4-(4-methylphenyl)sulfonylbutanoate Traditional Name: 2-[(1R,2R)-1-(4-fluorophenyl)-2-isocyano-2-tosyl-ethyl]acrylic acid ethyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)C(C1=CC=C(C=C1)F)C([N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(=C)[C@@H](C1=CC=C(C=C1)F)[C@H]([N+]#[C-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H20FNO4S/c1-5-27-21(24)15(3)19(16-8-10-17(22)11-9-16)20(23-4)28(25,26)18-12-6-14(2)7-13-18/h6-13,19-20H,3,5H2,1-2H3/t19-,20+/m0/s1