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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-propyl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2,5-dioxo-1-propyl-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2,5-dioxo-1-propyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2,5-diketo-1-propyl-pyrrolidin-3-yl)thio]nicotinic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-2-6-15-10(16)7-9(12(15)17)20-11-8(13(18)19)4-3-5-14-11/h3-5,9H,2,6-7H2,1H3,(H,18,19)