3-[4-(2,5-dimethylthiophen-3-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,5-dimethylthiophen-3-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2,5-dimethylthiophene-3-carbonyl)piperazino]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-10-9-12(11(2)20-10)14(19)16-7-5-15(6-8-16)4-3-13(17)18/h9H,3-8H2,1-2H3,(H,17,18)