methyl (2S)-2-[[(E)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(1E)-1-(p-tolylsulfonylmethylene)pentyl]amino]butanoate CAS Name: (2S)-2-[[(E)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-1-(4-methylphenyl)sulfonylhex-1-en-2-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-1-butyl-2-tosyl-vinyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H29NO4S2 MolecularWeight: 399.56786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CS(=O)(=O)C1=CC=C(C=C1)C)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCC/C(=C\S(=O)(=O)C1=CC=C(C=C1)C)/N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H29NO4S2/c1-5-6-7-16(20-18(12-13-25-4)19(21)24-3)14-26(22,23)17-10-8-15(2)9-11-17/h8-11,14,18,20H,5-7,12-13H2,1-4H3/b16-14+/t18-/m0/s1