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

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SC(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SC(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-3-28-17-11-9-15(10-12-17)13-18-19(16-7-5-4-6-8-16)23-22(24-20(18)25)29-14(2)21(26)27/h4-12,14,18-19,22-23H,3,13H2,1-2H3,(H,24,25)(H,26,27)