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

Systemtic Name: 2-[[5-(2-methylprop-2-enyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[5-(2-methylallyl)-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-(2-methylprop-2-enyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-methylprop-2-enyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-5-(2-methylallyl)-6-phenyl-hexahydropyrimidin-2-yl]thio]acetic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=C)CC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3S/c1-10(2)8-12-14(11-6-4-3-5-7-11)17-16(18-15(12)21)22-9-13(19)20/h3-7,12,14,16-17H,1,8-9H2,2H3,(H,18,21)(H,19,20)