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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-10-4-5-11(2)13(8-10)9-23-17-18-12(3)14(16(22)19-17)6-7-15(20)21/h4-5,8,12,14,17-18H,6-7,9H2,1-3H3,(H,19,22)(H,20,21)