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

Systemtic Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[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)SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-2-28-17-10-8-15(9-11-17)14-18-20(16-6-4-3-5-7-16)23-22(24-21(18)27)29-13-12-19(25)26/h3-11,18,20,22-23H,2,12-14H2,1H3,(H,24,27)(H,25,26)