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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[(4-keto-6-methyl-5-p-anisyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SC(C)C(=O)O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1C(C(=O)NC(N1)SC(C)C(=O)O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O4S/c1-9-13(8-11-4-6-12(22-3)7-5-11)14(19)18-16(17-9)23-10(2)15(20)21/h4-7,9-10,13,16-17H,8H2,1-3H3,(H,18,19)(H,20,21)