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

Systemtic Name: 3-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 3-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(4-ethoxyphenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 3-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 3-[2-[(4-ethoxybenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]propionic acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2NC(C(C(=O)N2)CCC(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2NC(C(C(=O)N2)CCC(=O)O)C

InChI

InChI=1S/C17H24N2O4S/c1-3-23-13-6-4-12(5-7-13)10-24-17-18-11(2)14(16(22)19-17)8-9-15(20)21/h4-7,11,14,17-18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)