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

Systemtic Name: 2-[[5-(2-methylprop-2-enyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-(2-methylallyl)-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-(2-methylprop-2-enyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-(2-methylprop-2-enyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-keto-5-(2-methylallyl)-6-phenyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1NC(C(C(=O)N1)CC(=C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SC1NC(C(C(=O)N1)CC(=C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3S/c1-10(2)9-13-14(12-7-5-4-6-8-12)18-17(19-15(13)20)23-11(3)16(21)22/h4-8,11,13-14,17-18H,1,9H2,2-3H3,(H,19,20)(H,21,22)