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

Systemtic Name: 2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 2-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 2-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 2-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]butyric acid Formula: C11H14N2O3S MolecularWeight: 254.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C=CC1=CSC(=N1)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=CSC(=N1)C

InChI

InChI=1S/C11H14N2O3S/c1-3-9(11(15)16)13-10(14)5-4-8-6-17-7(2)12-8/h4-6,9H,3H2,1-2H3,(H,13,14)(H,15,16)/b5-4+