3-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazino]propionic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)CCC(=O)O)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)CCC(=O)O)C

InChI

InChI=1S/C15H22N2O3S/c1-3-12-11(2)10-13(21-12)15(20)17-8-6-16(7-9-17)5-4-14(18)19/h10H,3-9H2,1-2H3,(H,18,19)