2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[(E)-3-(2-furyl)acryloyl]amino]-4-mesyl-butyric acid Formula: C12H15NO6S MolecularWeight: 301.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C=CC1=CC=CO1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C12H15NO6S/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)/b5-4+