[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-2-oxidanylidene-1,3-diazinan-4-yl] hexanoate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-2-oxidanylidene-1,3-diazinan-4-yl] hexanoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-2-oxo-hexahydropyrimidin-4-yl] hexanoate CAS Name: hexanoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-2-oxo-1,3-diazinan-4-yl] hexanoate Traditional Name: hexanoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(E)-hex-4-enyl]-2-keto-hexahydropyrimidin-4-yl] ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CC3)CCCC=CC

Isomeric SMILES

CCCCCC(=O)OC1CCN(C(=O)N1C2=NN=C(S2)C3CC3)CCC/C=C/C

InChI

InChI=1S/C21H32N4O3S/c1-3-5-7-9-14-24-15-13-17(28-18(26)10-8-6-4-2)25(21(24)27)20-23-22-19(29-20)16-11-12-16/h3,5,16-17H,4,6-15H2,1-2H3/b5-3+