3-[3-[5-(2-methylpropylcarbamoylamino)thiophen-3-yl]-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-[5-(2-methylpropylcarbamoylamino)thiophen-3-yl]-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-[5-(isobutylcarbamoylamino)-3-thienyl]-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-[5-[[(2-methylpropylamino)-oxomethyl]amino]-3-thiophenyl]-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-[5-(2-methylpropylcarbamoylamino)thiophen-3-yl]-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-[5-(isobutylcarbamoylamino)-3-thienyl]-1,2,4-oxadiazol-5-yl]propionic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=CC(=CS1)C2=NOC(=N2)CCC(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC1=CC(=CS1)C2=NOC(=N2)CCC(=O)O

InChI

InChI=1S/C14H18N4O4S/c1-8(2)6-15-14(21)17-11-5-9(7-23-11)13-16-10(22-18-13)3-4-12(19)20/h5,7-8H,3-4,6H2,1-2H3,(H,19,20)(H2,15,17,21)