[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CCC1=C(N=C(N=C1C)SC)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CCC1=C(N=C(N=C1C)SC)C

InChI

InChI=1S/C15H21N3O5S/c1-5-22-15(21)18-12(19)8-23-13(20)7-6-11-9(2)16-14(24-4)17-10(11)3/h5-8H2,1-4H3,(H,18,19,21)