1-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(5-chloro-2-thienyl)acryloyl]isonipecotic acid Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C=CC2=CC=C(S2)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)/C=C/C2=CC=C(S2)Cl

InChI

InChI=1S/C13H14ClNO3S/c14-11-3-1-10(19-11)2-4-12(16)15-7-5-9(6-8-15)13(17)18/h1-4,9H,5-8H2,(H,17,18)/b4-2+