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

Systemtic Name: 2-[4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(E)-3-(5-chloro-2-thienyl)acryloyl]piperazino]acetic acid Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C=CC2=CC=C(S2)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)/C=C/C2=CC=C(S2)Cl

InChI

InChI=1S/C13H15ClN2O3S/c14-11-3-1-10(20-11)2-4-12(17)16-7-5-15(6-8-16)9-13(18)19/h1-4H,5-9H2,(H,18,19)/b4-2+