2-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]-4-mesyl-butyric acid Formula: C12H14BrNO6S MolecularWeight: 380.21166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C=CC1=CC=C(O1)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)/C=C/C1=CC=C(O1)Br

InChI

InChI=1S/C12H14BrNO6S/c1-21(18,19)7-6-9(12(16)17)14-11(15)5-3-8-2-4-10(13)20-8/h2-5,9H,6-7H2,1H3,(H,14,15)(H,16,17)/b5-3+