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

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-keto-6-methyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SC(C)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SC(C)C(=O)O)C

InChI

InChI=1S/C17H24N2O4S/c1-4-23-13-7-5-12(6-8-13)9-14-10(2)18-17(19-15(14)20)24-11(3)16(21)22/h5-8,10-11,14,17-18H,4,9H2,1-3H3,(H,19,20)(H,21,22)