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

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-keto-6-methyl-hexahydropyrimidin-2-yl]thio]hexanoic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C20H30N2O4S/c1-4-6-7-17(19(24)25)27-20-21-13(3)16(18(23)22-20)12-14-8-10-15(11-9-14)26-5-2/h8-11,13,16-17,20-21H,4-7,12H2,1-3H3,(H,22,23)(H,24,25)