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

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 2-[2-[(4-chlorophenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 2-[2-[(4-chlorobenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]propionic acid Formula: C15H19ClN2O3S MolecularWeight: 342.84096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O3S/c1-8(14(20)21)12-9(2)17-15(18-13(12)19)22-7-10-3-5-11(16)6-4-10/h3-6,8-9,12,15,17H,7H2,1-2H3,(H,18,19)(H,20,21)