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

Systemtic Name: 2-[1-cyclopropyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(1-cyclopropyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(1-cyclopropyl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(1-cyclopropyl-2,5-diketo-pyrrolidin-3-yl)thio]nicotinic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CC1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c16-10-6-9(12(17)15(10)7-3-4-7)20-11-8(13(18)19)2-1-5-14-11/h1-2,5,7,9H,3-4,6H2,(H,18,19)