phenacyl 2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: phenacyl 2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: phenacyl 2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-diketo-1-phenyl-pyrrolidin-3-yl)thio]nicotinic acid phenacyl ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H18N2O5S/c27-19(16-8-3-1-4-9-16)15-31-24(30)18-12-7-13-25-22(18)32-20-14-21(28)26(23(20)29)17-10-5-2-6-11-17/h1-13,20H,14-15H2