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

Systemtic Name: phenacyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-(2,5-dioxo-3-phenylsulfanyl-pyrrolidin-1-yl)benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(2,5-dioxo-3-phenylsulfanylpyrrolidin-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)pyrrolidino]benzoic acid phenacyl ester Formula: C25H19NO5S MolecularWeight: 445.48706

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H19NO5S/c27-21(17-7-3-1-4-8-17)16-31-25(30)18-11-13-19(14-12-18)26-23(28)15-22(24(26)29)32-20-9-5-2-6-10-20/h1-14,22H,15-16H2