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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC(=O)O)CC2=CC=CC=C2Cl

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC(=O)O)CC2=CC=CC=C2Cl

InChI

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