ethyl 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 6-keto-2-(methylthio)-1-(2-phthalimidoethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CCN2C(=O)C3=CC=CC=C3C2=O)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CCN2C(=O)C3=CC=CC=C3C2=O)SC

InChI

InChI=1S/C18H17N3O5S/c1-3-26-17(25)13-10-19-18(27-2)21(16(13)24)9-8-20-14(22)11-6-4-5-7-12(11)15(20)23/h4-7,10H,3,8-9H2,1-2H3