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

Systemtic Name: 2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 2-[2-[(4-ethoxyphenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 2-[2-[(4-ethoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 2-[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)C(C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-4-23-13-7-5-12(6-8-13)9-24-17-18-11(3)14(15(20)19-17)10(2)16(21)22/h5-8,10-11,14,17-18H,4,9H2,1-3H3,(H,19,20)(H,21,22)