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

Systemtic Name: ethyl 4-[3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H23N3O6S/c1-3-5-6-14-17(26)22-21(23-18(14)27)31-15-11-16(25)24(19(15)28)13-9-7-12(8-10-13)20(29)30-4-2/h7-10,15H,3-6,11H2,1-2H3,(H2,22,23,26,27)