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

Systemtic Name: phenacyl 4-[3-(3-aminophenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(3-aminophenyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-aminophenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3-aminophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-aminophenyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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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)N

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)N

InChI

InChI=1S/C25H20N2O5S/c26-18-7-4-8-20(13-18)33-22-14-23(29)27(24(22)30)19-11-9-17(10-12-19)25(31)32-15-21(28)16-5-2-1-3-6-16/h1-13,22H,14-15,26H2