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

Systemtic Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-9-3-4-10(20-9)5-6-12(15)14-11(13(16)17)7-8-21(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,15)(H,16,17)/b6-5+