[3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] but-3-enoate

Systemtic Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] but-3-enoate Openeye Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] but-3-enoate CAS Name: 3-butenoic acid [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] but-3-enoate Traditional Name: but-3-enoic acid [3-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCCCC3)OC(=O)CC=C

Isomeric SMILES

CN1CCC(N(C1=O)C2=NN=C(S2)C3CCCCCC3)OC(=O)CC=C

InChI

InChI=1S/C18H26N4O3S/c1-3-8-15(23)25-14-11-12-21(2)18(24)22(14)17-20-19-16(26-17)13-9-6-4-5-7-10-13/h3,13-14H,1,4-12H2,2H3