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

Systemtic Name: 2-[1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(1-ethyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(1-ethyl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(1-ethyl-2,5-diketo-pyrrolidin-3-yl)thio]nicotinic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H12N2O4S/c1-2-14-9(15)6-8(11(14)16)19-10-7(12(17)18)4-3-5-13-10/h3-5,8H,2,6H2,1H3,(H,17,18)