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

Systemtic Name: 3-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(5-methyl-2-thienyl)acryloyl]piperazino]propionic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-12-2-3-13(21-12)4-5-14(18)17-10-8-16(9-11-17)7-6-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)/b5-4+