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

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-keto-6-methyl-hexahydropyrimidin-2-yl]thio]acetic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC(=O)O)C

InChI

InChI=1S/C16H22N2O4S/c1-3-22-12-6-4-11(5-7-12)8-13-10(2)17-16(18-15(13)21)23-9-14(19)20/h4-7,10,13,16-17H,3,8-9H2,1-2H3,(H,18,21)(H,19,20)