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

Systemtic Name: ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-4-26-18(25)13-5-7-14(8-6-13)22-16(23)10-15(17(22)24)27-19-20-11(2)9-12(3)21-19/h5-9,15H,4,10H2,1-3H3