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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1C(NC(NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOCCC1C(NC(NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O4S/c1-2-23-10-8-13-15(12-6-4-3-5-7-12)18-17(19-16(13)22)24-11-9-14(20)21/h3-7,13,15,17-18H,2,8-11H2,1H3,(H,19,22)(H,20,21)