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

Systemtic Name: 3-[4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(5-chloro-2-thienyl)acryloyl]piperazino]propionic acid Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C=CC2=CC=C(S2)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)/C=C/C2=CC=C(S2)Cl

InChI

InChI=1S/C14H17ClN2O3S/c15-12-3-1-11(21-12)2-4-13(18)17-9-7-16(8-10-17)6-5-14(19)20/h1-4H,5-10H2,(H,19,20)/b4-2+