[3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-2-oxidanylidene-1,3-diazinan-4-yl] hex-4-ynylsulfanylmethanoate

Systemtic Name: [3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-2-oxidanylidene-1,3-diazinan-4-yl] hex-4-ynylsulfanylmethanoate Openeye Name: [3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-ethynyl-1-propyl-butyl)-2-oxo-hexahydropyrimidin-4-yl] hex-4-ynylsulfanylformate CAS Name: (hex-4-ynylthio)formic acid [3-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(4-ethynylheptan-4-yl)-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-2-oxo-1,3-diazinan-4-yl] hex-4-ynylsulfanylformate Traditional Name: (hex-4-ynylthio)formic acid [1-(1,1-dipropylprop-2-ynyl)-3-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-keto-hexahydropyrimidin-4-yl] ester Formula: C24H34N4O3S3 MolecularWeight: 522.74676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#C)N1CCC(N(C1=O)C2=NN=C(S2)SCC)OC(=O)SCCCC#CC

Isomeric SMILES

CCCC(CCC)(C#C)N1CCC(N(C1=O)C2=NN=C(S2)SCC)OC(=O)SCCCC#CC

InChI

InChI=1S/C24H34N4O3S3/c1-6-11-12-13-18-33-23(30)31-19-14-17-27(24(9-4,15-7-2)16-8-3)22(29)28(19)20-25-26-21(34-20)32-10-5/h4,19H,7-8,10,12-18H2,1-3,5H3