[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CSC1=NC(=CC(=N1)C)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CSC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C13H17N3O5S/c1-4-20-13(19)16-10(17)6-21-11(18)7-22-12-14-8(2)5-9(3)15-12/h5H,4,6-7H2,1-3H3,(H,16,17,19)