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

Systemtic Name: 7-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]heptanoic acid Openeye Name: 7-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]heptanoic acid CAS Name: 7-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]heptanoic acid IUPAC Name: 7-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]heptanoic acid Traditional Name: 7-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]enanthic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-11-16-12(10-20-11)7-8-13(17)15-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,15,17)(H,18,19)/b8-7+