53A

ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate


Toggle HydrogenToggle Labels

Chemical Component Summary

Nameethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
Identifiersethyl 5-[(2R)-1-ethoxy-1,3-dioxo-butan-2-yl]sulfanyl-1,2-dihydro-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
FormulaC18 H20 N4 O5 S
Molecular Weight404.44
TypeNON-POLYMER
Isomeric SMILESCCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC
InChIInChI=1S/C18H20N4O5S/c1-4-26-17(24)13-15-19-16(28-14(10(3)23)18(25)27-5-2)11-8-6-7-9-12(11)22(15)21-20-13/h6-9,14,20-21H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyJTPUHTLSVQEMRB-CQSZACIVSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count1
Bond Count50
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 49866521