1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(5-bromo-2-thienyl)acryloyl]nipecotic acid Formula: C13H14BrNO3S MolecularWeight: 344.22416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO3S/c14-11-5-3-10(19-11)4-6-12(16)15-7-1-2-9(8-15)13(17)18/h3-6,9H,1-2,7-8H2,(H,17,18)/b6-4+