2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid 2-phthalimidoethyl ester Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C16H12ClN3O4S/c1-25-16-18-8-11(17)12(19-16)15(23)24-7-6-20-13(21)9-4-2-3-5-10(9)14(20)22/h2-5,8H,6-7H2,1H3