(2S)-4-methylsulfonyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoate Traditional Name: (2S)-4-mesyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]butyrate Formula: C12H14NO5S2- MolecularWeight: 316.37326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C=CC1=CC=CS1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C12H15NO5S2/c1-20(17,18)8-6-10(12(15)16)13-11(14)5-4-9-3-2-7-19-9/h2-5,7,10H,6,8H2,1H3,(H,13,14)(H,15,16)/p-1/b5-4+/t10-/m0/s1