ethyl (3R)-3-[(R)-isocyano-(4-methylphenyl)sulfonyl-methyl]-2-methylidene-octanoate

Systemtic Name: ethyl (3R)-3-[(R)-isocyano-(4-methylphenyl)sulfonyl-methyl]-2-methylidene-octanoate Openeye Name: ethyl (3R)-3-[(R)-isocyano(p-tolylsulfonyl)methyl]-2-methylene-octanoate CAS Name: (3R)-3-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]-2-methyleneoctanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]-2-methylideneoctanoate Traditional Name: 2-[(1R)-1-[(R)-isocyano(tosyl)methyl]hexyl]acrylic acid ethyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C)C(=C)C(=O)OCC

Isomeric SMILES

CCCCC[C@@H]([C@H]([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C)C(=C)C(=O)OCC

InChI

InChI=1S/C20H27NO4S/c1-6-8-9-10-18(16(4)20(22)25-7-2)19(21-5)26(23,24)17-13-11-15(3)12-14-17/h11-14,18-19H,4,6-10H2,1-3H3/t18-,19-/m1/s1