[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CCC1=NC(=NO1)C2=CSC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CCC1=NC(=NO1)C2=CSC=C2

InChI

InChI=1S/C17H22N4O5S/c1-11(2)5-7-18-17(24)19-13(22)9-25-15(23)4-3-14-20-16(21-26-14)12-6-8-27-10-12/h6,8,10-11H,3-5,7,9H2,1-2H3,(H2,18,19,22,24)