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

Systemtic Name: 3-[4-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(2-methylthiazol-4-yl)acryloyl]piperazino]propionic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-11-15-12(10-21-11)2-3-13(18)17-8-6-16(7-9-17)5-4-14(19)20/h2-3,10H,4-9H2,1H3,(H,19,20)/b3-2+