[1-(3-ethylpent-1-yn-3-yl)-2-oxidanylidene-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] cyclopropanecarboxylate

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)-2-oxidanylidene-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] cyclopropanecarboxylate Openeye Name: [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-(1,1-diethylprop-2-ynyl)-2-oxo-hexahydropyrimidin-4-yl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [1-(3-ethylpent-1-yn-3-yl)-2-oxo-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] ester IUPAC Name: [1-(3-ethylpent-1-yn-3-yl)-2-oxo-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-(1,1-diethylprop-2-ynyl)-2-keto-hexahydropyrimidin-4-yl] ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)N1CCC(N(C1=O)C2=NN=C(S2)CC=C)OC(=O)C3CC3

Isomeric SMILES

CCC(CC)(C#C)N1CCC(N(C1=O)C2=NN=C(S2)CC=C)OC(=O)C3CC3

InChI

InChI=1S/C20H26N4O3S/c1-5-9-15-21-22-18(28-15)24-16(27-17(25)14-10-11-14)12-13-23(19(24)26)20(6-2,7-3)8-4/h2,5,14,16H,1,7-13H2,3-4H3