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

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(4-chlorophenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[2-[(4-chlorobenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]acetic acid Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3S/c1-8-11(6-12(18)19)13(20)17-14(16-8)21-7-9-2-4-10(15)5-3-9/h2-5,8,11,14,16H,6-7H2,1H3,(H,17,20)(H,18,19)