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

Systemtic Name: 2-[1-butan-2-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2,5-dioxo-1-sec-butyl-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(1-butan-2-yl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2,5-diketo-1-sec-butyl-pyrrolidin-3-yl)thio]nicotinic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCC(C)N1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-3-8(2)16-11(17)7-10(13(16)18)21-12-9(14(19)20)5-4-6-15-12/h4-6,8,10H,3,7H2,1-2H3,(H,19,20)