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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2,5-diketo-1-phenyl-pyrrolidin-3-yl)thio]nicotinic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c19-13-9-12(15(20)18(13)10-5-2-1-3-6-10)23-14-11(16(21)22)7-4-8-17-14/h1-8,12H,9H2,(H,21,22)