ethyl 4-[2,5-bis(oxidanylidene)-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-(2,5-dioxo-3-pyrimidin-2-ylsulfanyl-pyrrolidin-1-yl)benzoate CAS Name: 4-[2,5-dioxo-3-(2-pyrimidinylthio)-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dioxo-3-pyrimidin-2-ylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(2-pyrimidylthio)pyrrolidino]benzoic acid ethyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3

InChI

InChI=1S/C17H15N3O4S/c1-2-24-16(23)11-4-6-12(7-5-11)20-14(21)10-13(15(20)22)25-17-18-8-3-9-19-17/h3-9,13H,2,10H2,1H3