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

Systemtic Name: 1-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(2-methylthiazol-4-yl)acryloyl]nipecotic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-9-14-11(8-19-9)4-5-12(16)15-6-2-3-10(7-15)13(17)18/h4-5,8,10H,2-3,6-7H2,1H3,(H,17,18)/b5-4+