[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]propanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]propionic acid phthalimidomethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H17N3O4S/c1-11-9-12(2)20-18(19-11)26-8-7-15(22)25-10-21-16(23)13-5-3-4-6-14(13)17(21)24/h3-6,9H,7-8,10H2,1-2H3