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

Systemtic Name: phenacyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O5S/c1-15-12-16(2)27-25(26-15)34-21-13-22(30)28(23(21)31)19-10-8-18(9-11-19)24(32)33-14-20(29)17-6-4-3-5-7-17/h3-12,21H,13-14H2,1-2H3