2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 2-[2-[(2,5-dimethylphenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 2-[2-[(2,5-dimethylbenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]propionic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=C(C=CC(=C2)C)C)C(C)C(=O)O

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=C(C=CC(=C2)C)C)C(C)C(=O)O

InChI

InChI=1S/C17H24N2O3S/c1-9-5-6-10(2)13(7-9)8-23-17-18-12(4)14(15(20)19-17)11(3)16(21)22/h5-7,11-12,14,17-18H,8H2,1-4H3,(H,19,20)(H,21,22)