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

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-[(2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]ethanoic acid Openeye Name: 2-(4-methylsulfanylphenyl)-2-[(2-oxohexahydropyrimidine-1-carbonyl)amino]acetic acid CAS Name: 2-[4-(methylthio)phenyl]-2-[[oxo-(2-oxo-1,3-diazinan-1-yl)methyl]amino]acetic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-2-[(2-oxo-1,3-diazinane-1-carbonyl)amino]acetic acid Traditional Name: 2-[(2-ketohexahydropyrimidine-1-carbonyl)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)NC(=O)N2CCCNC2=O

Isomeric SMILES

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

InChI

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