4-methylsulfonyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]butyric acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-8-13-9(7-20-8)3-4-11(15)14-10(12(16)17)5-6-21(2,18)19/h3-4,7,10H,5-6H2,1-2H3,(H,14,15)(H,16,17)/b4-3+