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

Systemtic Name: 3,3-dimethyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-8-14-9(7-19-8)5-6-10(16)15-11(12(17)18)13(2,3)4/h5-7,11H,1-4H3,(H,15,16)(H,17,18)/b6-5+