[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-(4-chlorophenyl)propanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-(4-chlorophenyl)propanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-(4-chlorophenyl)propanoate CAS Name: 3-(4-chlorophenyl)propanoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)propionic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O3S/c1-20(2,3)17-22-23-18(29-17)25-15(11-12-24(4)19(25)27)28-16(26)10-7-13-5-8-14(21)9-6-13/h5-6,8-9,15H,7,10-12H2,1-4H3