ethyl 4-[3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C19H19N3O6S/c1-3-12-15(24)20-19(21-16(12)25)29-13-9-14(23)22(17(13)26)11-7-5-10(6-8-11)18(27)28-4-2/h5-8,13H,3-4,9H2,1-2H3,(H2,20,21,24,25)