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

Systemtic Name: [3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1-pentyl-1,3-diazinan-4-yl] (E)-pent-3-enoate Openeye Name: [3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-pentyl-hexahydropyrimidin-4-yl] (E)-pent-3-enoate CAS Name: (E)-3-pentenoic acid [3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-pentyl-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-pentyl-1,3-diazinan-4-yl] (E)-pent-3-enoate Traditional Name: (E)-pent-3-enoic acid [1-amyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-2-keto-hexahydropyrimidin-4-yl] ester Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(N(C1=O)C2=NN=C(S2)CCCC)OC(=O)CC=CC

Isomeric SMILES

CCCCCN1CCC(N(C1=O)C2=NN=C(S2)CCCC)OC(=O)C/C=C/C

InChI

InChI=1S/C20H32N4O3S/c1-4-7-10-14-23-15-13-17(27-18(25)12-9-6-3)24(20(23)26)19-22-21-16(28-19)11-8-5-2/h6,9,17H,4-5,7-8,10-15H2,1-3H3/b9-6+