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

Systemtic Name: ethyl 4-[2,5-bis(oxidanylidene)-3-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(5-allyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(5-allyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c1-3-5-13-16(25)21-20(22-17(13)26)30-14-10-15(24)23(18(14)27)12-8-6-11(7-9-12)19(28)29-4-2/h3,6-9,14H,1,4-5,10H2,2H3,(H2,21,22,25,26)