[1-hexyl-2-oxidanylidene-3-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] (E)-hex-4-enoate

Systemtic Name: [1-hexyl-2-oxidanylidene-3-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] (E)-hex-4-enoate Openeye Name: [1-hexyl-2-oxo-3-(5-pentyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] (E)-hex-4-enoate CAS Name: (E)-4-hexenoic acid [1-hexyl-2-oxo-3-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] ester IUPAC Name: [1-hexyl-2-oxo-3-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] (E)-hex-4-enoate Traditional Name: (E)-hex-4-enoic acid [3-(5-amyl-1,3,4-thiadiazol-2-yl)-1-hexyl-2-keto-hexahydropyrimidin-4-yl] ester Formula: C23H38N4O3S MolecularWeight: 450.63782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(N(C1=O)C2=NN=C(S2)CCCCC)OC(=O)CCC=CC

Isomeric SMILES

CCCCCCN1CCC(N(C1=O)C2=NN=C(S2)CCCCC)OC(=O)CC/C=C/C

InChI

InChI=1S/C23H38N4O3S/c1-4-7-10-13-17-26-18-16-20(30-21(28)15-12-9-6-3)27(23(26)29)22-25-24-19(31-22)14-11-8-5-2/h6,9,20H,4-5,7-8,10-18H2,1-3H3/b9-6+