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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (2-anilino-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-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-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-anilino-2-keto-ethyl) ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-12-15(13(2)20-18(19-12)25-3)9-10-17(23)24-11-16(22)21-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,21,22)