2-[methanoyl-(2-oxidanylidene-1,3-diazinan-1-yl)amino]-2-(4-methylsulfanylphenyl)ethanoic acid

Systemtic Name: 2-[methanoyl-(2-oxidanylidene-1,3-diazinan-1-yl)amino]-2-(4-methylsulfanylphenyl)ethanoic acid Openeye Name: 2-[formyl-(2-oxohexahydropyrimidin-1-yl)amino]-2-(4-methylsulfanylphenyl)acetic acid CAS Name: 2-[formyl-(2-oxo-1,3-diazinan-1-yl)amino]-2-[4-(methylthio)phenyl]acetic acid IUPAC Name: 2-[formyl-(2-oxo-1,3-diazinan-1-yl)amino]-2-(4-methylsulfanylphenyl)acetic acid Traditional Name: 2-[formyl-(2-ketohexahydropyrimidin-1-yl)amino]-2-[4-(methylthio)phenyl]acetic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C(=O)O)N(C=O)N2CCCNC2=O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C(=O)O)N(C=O)N2CCCNC2=O

InChI

InChI=1S/C14H17N3O4S/c1-22-11-5-3-10(4-6-11)12(13(19)20)17(9-18)16-8-2-7-15-14(16)21/h3-6,9,12H,2,7-8H2,1H3,(H,15,21)(H,19,20)