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

Systemtic Name: 4-methylsulfanyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-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]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-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]-4-(methylthio)butyric acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S2/c1-8-13-9(7-19-8)3-4-11(15)14-10(12(16)17)5-6-18-2/h3-4,7,10H,5-6H2,1-2H3,(H,14,15)(H,16,17)/b4-3+