methyl (3S)-2-methylidene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanoate

Systemtic Name: methyl (3S)-2-methylidene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanoate Openeye Name: methyl (3S)-2-methylene-3-[[(S)-p-tolylsulfinyl]amino]hexanoate CAS Name: (3S)-2-methylene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (3S)-2-methylidene-3-[[(S)-(4-methylphenyl)sulfinyl]amino]hexanoate Traditional Name: 2-[(1S)-1-[[(S)-p-tolylsulfinyl]amino]butyl]acrylic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=C)C(=O)OC)NS(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC[C@@H](C(=C)C(=O)OC)N[S@@](=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H21NO3S/c1-5-6-14(12(3)15(17)19-4)16-20(18)13-9-7-11(2)8-10-13/h7-10,14,16H,3,5-6H2,1-2,4H3/t14-,20-/m0/s1